Molecule Details

CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccc(C(C)N(C)C(=O)C3CCN(C(=O)CCl)CC3)c2)c1

Molecular Properties
SMILES:
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccc(C(C)N(C)C(=O)C3CCN(C(=O)CCl)CC3)c2)c1
MW: 589.133
Fraction sp3: 0.38
HBA: 6
HBD: 1
Rotatable Bonds: 9
TPSA: 91.72
cLogP: 4.2474
Covalent Warhead: ✔️
Covalent Fragment:

Activated haloaromatics

CCNc1ccc(C#N)cn1

AAR-POS-d2a4d1df-5

View

CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cncc(C(C)N(C)C(=O)C3CCN(C(=O)CCl)CC3)c2)c1

MAK-UNK-8fdbca50-7
0.775

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccc(C(C)N(C)C(=O)C3CCN(C(=O)CCl)CC3)nc2)c1

MAK-UNK-8fdbca50-8
0.726

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccc(N(C(=O)C3CCN(C(=O)CCl)CC3)C(C)C)c2)c1

MAK-UNK-8fdbca50-24
0.722

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cnccc2C(C)N(C)C(=O)C2CCN(C(=O)CCl)CC2)c1

MAK-UNK-8fdbca50-6
0.669

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2C(C)N(C)C(=O)C2CCN(C(=O)CCl)CC2)c1

MAK-UNK-8fdbca50-10
0.661

View
CNCc1cc(-c2ccc(C(C)N(C)C(=O)C3CCN(C(=O)CCl)CC3)cc2F)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-8fdbca50-13
0.661

View
CNCc1cc(-c2cc(C(C)N(C)C(=O)C3CCN(C(=O)CCl)CC3)ccc2F)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-8fdbca50-14
0.658

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cncc(N(C(=O)C3CCN(C(=O)CCl)CC3)C(C)C)c2)c1

MAK-UNK-8fdbca50-22
0.647

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccc(N(C(=O)C3CCN(C(=O)CCl)CC3)C(C)C)nc2)c1

MAK-UNK-8fdbca50-23
0.643

View
CC(CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1)N(C)C(=O)C1CCN(C(=O)CCl)CC1

MAK-UNK-8fdbca50-1
0.602

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=CC(C)N(C)C(=O)C2CCN(C(=O)CCl)CC2)c2cccnc2)c1

MAK-UNK-8fdbca50-5
0.602

View
CNCc1cc(-c2cccc(C(C)N(C)C(=O)C3CCN(C(=O)CCl)CC3)c2F)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-8fdbca50-12
0.597

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cnccc2N(C(=O)C2CCN(C(=O)CCl)CC2)C(C)C)c1

MAK-UNK-8fdbca50-21
0.595

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2N(C(=O)C2CCN(C(=O)CCl)CC2)C(C)C)c1

MAK-UNK-8fdbca50-25
0.582

View
CC(Cc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1)C(C)N(C)C(=O)C1CCN(C(=O)CCl)CC1

MAK-UNK-8fdbca50-2
0.574

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=CN(C(=O)C2CCN(C(=O)CCl)CC2)C(C)C)c2cccnc2)c1

MAK-UNK-8fdbca50-20
0.565

View
CC(C)N(CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1)C(=O)C1CCN(C(=O)CCl)CC1

MAK-UNK-8fdbca50-16
0.560

View
CNC(c1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1)C(C)N(C)C(=O)C1CCN(C(=O)CCl)CC1

MAK-UNK-8fdbca50-3
0.552

View
CC(C)N(C)/C(=C/NCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1)C1CCN(C(=O)CCl)CC1

MAK-UNK-8fdbca50-39
0.552

View
CN(C(=O)C1CCN(C(=O)CCl)CC1)C(C)(C)NCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-8fdbca50-41
0.552

View
CC(C)N(C)C(=O)C1CCN(C(=O)CCNCc2cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c2)CC1

MAK-UNK-8fdbca50-32
0.552

View
CNCc1cc(-c2cccc(N(C(=O)C3CCN(C(=O)CCl)CC3)C(C)C)c2F)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-8fdbca50-27
0.548

View
CNCc1cc(-c2ccc(N(C(=O)C3CCN(C(=O)CCl)CC3)C(C)C)cc2F)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-8fdbca50-28
0.548

View
CNCc1cc(-c2c(F)cccc2C(C)N(C)C(=O)C2CCN(C(=O)CCl)CC2)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-8fdbca50-15
0.547

View
CNCc1cc(-c2cc(N(C(=O)C3CCN(C(=O)CCl)CC3)C(C)C)ccc2F)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-8fdbca50-30
0.545

View
CC(C)C(C)(NCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1)C(=O)C1CCN(C(=O)CCl)CC1

MAK-UNK-8fdbca50-40
0.540

View
CNCc1cc(-c2ccccc2CC(C)N(C)C(=O)C2CCN(C(=O)CCl)CC2)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-8fdbca50-11
0.539

View
CC(C)N(C(=O)C1CCN(C(=O)CCl)CC1)C(C)Cc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-8fdbca50-17
0.528

View
CC(C)N(C)C(=O)C1CCN(C(=O)C(Cl)NCc2cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c2)CC1

MAK-UNK-8fdbca50-33
0.528

View
CNCc1cc(-c2c(F)cccc2N(C(=O)C2CCN(C(=O)CCl)CC2)C(C)C)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-8fdbca50-31
0.528

View
CC(C)N(C)C(=O)C1CCN(/C(=C\NCc2cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c2)CCl)CC1

MAK-UNK-8fdbca50-34
0.527

View
CNC(c1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1)N(C(=O)C1CCN(C(=O)CCl)CC1)C(C)C

MAK-UNK-8fdbca50-18
0.504

View
CNCc1cc(-c2ccccc2CN(C(=O)C2CCN(C(=O)CCl)CC2)C(C)C)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-8fdbca50-26
0.504

View
CC(C)N(C)C(=O)C1CCN(C(=O)CCl)CC1NCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-8fdbca50-37
0.500

View
CC(C)N(C)C(=O)C1CCN(C(=O)CCl)C(NCc2cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c2)C1

MAK-UNK-8fdbca50-36
0.489

View
CC(C)N(C)C(=O)C1(NCc2cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c2)CCN(C(=O)CCl)CC1

MAK-UNK-8fdbca50-38
0.473

View
CC(C)N(C)C(=O)C1CCC(NCc2cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c2)(C(=O)CCl)CC1

MAK-UNK-8fdbca50-35
0.466

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccc(OC(=O)c3ccc(S(N)(=O)=O)cc3)c2)c1

MAK-UNK-de9577cf-20
0.463

View
CNCC1=CC(C(C)N(C)C(=O)C2CCN(C(=O)CCl)CC2)(S(=O)(=O)c2cccnc2)C(c2ccccc2F)=C1

MAK-UNK-8fdbca50-4
0.448

View
CNCC1=CC(N(C(=O)C2CCN(C(=O)CCl)CC2)C(C)C)(S(=O)(=O)c2cccnc2)C(c2ccccc2F)=C1

MAK-UNK-8fdbca50-19
0.425

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccc(OC(=O)c3ccc(S(N)(=O)=O)cc3)nc2)c1

MAK-UNK-de9577cf-19
0.424

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccc(CNc3ccc(C#N)cn3)c2)c1

MAK-UNK-148caf23-18
0.414

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccc(N3CCCc4ccc(S(N)(=O)=O)cc43)c2)c1

MAK-UNK-9a6be56d-18
0.414

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cncc(OC(=O)c3ccc(S(N)(=O)=O)cc3)c2)c1

MAK-UNK-de9577cf-17
0.408

View
O=C(CCl)N1Cc2ccccc2C(NCc2cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c2)(c2ccccc2)C1

MAK-UNK-702fb7d3-6
0.407

View
O=C(CCl)N1Cc2cc(NCc3cc(-c4ccccc4F)n(S(=O)(=O)c4cccnc4)c3)ccc2C(c2ccccc2)C1

MAK-UNK-702fb7d3-9
0.394

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2OC(=O)c2ccc(S(N)(=O)=O)cc2)c1

MAK-UNK-de9577cf-21
0.394

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cnccc2OC(=O)c2ccc(S(N)(=O)=O)cc2)c1

MAK-UNK-de9577cf-16
0.391

View
O=C(CCl)N1Cc2ccccc2C(c2cccc(NCc3cc(-c4ccccc4F)n(S(=O)(=O)c4cccnc4)c3)c2)C1

MAK-UNK-702fb7d3-13
0.390

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cncc(CNc3ccc(C#N)cn3)c2)c1

MAK-UNK-148caf23-16
0.389

View
O=C(CCl)N1Cc2cccc(NCc3cc(-c4ccccc4F)n(S(=O)(=O)c4cccnc4)c3)c2C(c2ccccc2)C1

MAK-UNK-702fb7d3-11
0.389

View
O=C(CCl)N1Cc2c(NCc3cc(-c4ccccc4F)n(S(=O)(=O)c4cccnc4)c3)cccc2C(c2ccccc2)C1

MAK-UNK-702fb7d3-8
0.386

View
O=C(CCl)N1CC(c2ccccc2)c2ccccc2C1NCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-702fb7d3-5
0.384

View
O=C(CCl)N1Cc2ccccc2C(c2ccc(NCc3cc(-c4ccccc4F)n(S(=O)(=O)c4cccnc4)c3)cc2)C1

MAK-UNK-702fb7d3-14
0.382

View
O=C(CCl)N1Cc2ccccc2C(c2ccccc2NCc2cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c2)C1

MAK-UNK-702fb7d3-12
0.379

View
O=C(CCl)C1(NCc2cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c2)Cc2ccccc2C(c2ccccc2)C1

MAK-UNK-702fb7d3-4
0.378

View
O=C(CCl)N1Cc2ccc(NCc3cc(-c4ccccc4F)n(S(=O)(=O)c4cccnc4)c3)cc2C(c2ccccc2)C1

MAK-UNK-702fb7d3-10
0.374

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cncc(N3CCCc4ccc(S(N)(=O)=O)cc43)c2)c1

MAK-UNK-9a6be56d-16
0.371

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccc(CNc3ccc(C#N)cn3)nc2)c1

MAK-UNK-148caf23-17
0.371

View
O=C(CCl)N1Cc2ccccc2C(c2ccccc2)C1NCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-702fb7d3-7
0.368

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccc(N3CCCc4ccc(S(N)(=O)=O)cc43)nc2)c1

MAK-UNK-9a6be56d-17
0.367

View
CNCc1cc(-c2ccccc2F)n(C2CCN(C(N)=O)C2)c1

MAK-UNK-0955449e-15
0.364

View
CNCc1cc(-c2ccccc2F)n(C(C)c2ccccc2)c1

MAK-UNK-0955449e-14
0.357

View
COC(=O)c1ccc(S(=O)(=O)N(C)Cc2cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c2)cc1

MAK-UNK-de9577cf-2
0.357

View
O=C(CCNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1)N1Cc2ccccc2C(c2ccccc2)C1

MAK-UNK-702fb7d3-1
0.356

View
CCN(C(=O)C1CCN(C(=O)CCl)CC1)C(CF)c1ccccc1

YOI-UNK-a533afbc-6
0.354

View
CCN(C(=O)C1CCN(C(=O)CCl)CC1)C(CF)c1ccccc1

YOI-UNK-12211982-6
0.354

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cnccc2N2CCCc3ccc(S(N)(=O)=O)cc32)c1

MAK-UNK-9a6be56d-15
0.352

View
CN1CC(NCc2cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c2)Cc2ccc(S(N)(=O)=O)cc21

MAK-UNK-9a6be56d-30
0.352

View
CN1CCC(NCc2cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c2)c2ccc(S(N)(=O)=O)cc21

MAK-UNK-9a6be56d-29
0.352

View
CN(CC(=O)N1Cc2ccccc2C(c2ccccc2)C1)Cc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-702fb7d3-17
0.352

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cnccc2CNc2ccc(C#N)cn2)c1

MAK-UNK-148caf23-15
0.351

View
COC(=O)c1ccc(S(=O)(=O)NNCc2cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c2)cc1

MAK-UNK-de9577cf-1
0.351

View
CC(C)N(C)C(=O)C1CCN(C(=O)CCl)CC1

VIR-GIT-7b3d3065-3
0.350

View
CC(C)N(C)C(=O)C1CCN(C(=O)CCl)CC1

AAR-POS-0daf6b7e-19
0.350

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2N2CCCc3ccc(S(N)(=O)=O)cc32)c1

MAK-UNK-9a6be56d-19
0.350

View
CN1CCCc2ccc(S(N)(=O)=CNCc3cc(-c4ccccc4F)n(S(=O)(=O)c4cccnc4)c3)cc21

MAK-UNK-9a6be56d-25
0.349

View
CN(C(=O)C1CCN(C(=O)CCl)CC1)c1ccccc1

LON-WEI-120e5cf5-5
0.349

View
CC(c1cccc(Cl)c1)N(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)C1CCN(C(=O)CCl)CC1

SAD-SAT-29425be4-7
0.349

View
CC(NCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1)Nc1ccc(C#N)cn1

MAK-UNK-148caf23-7
0.348

View
O=S(=O)(c1cccnc1)n1cc(CN/C=C(\CCl)N2Cc3ccccc3C(c3ccccc3)C2)cc1-c1ccccc1F

MAK-UNK-702fb7d3-3
0.347

View
O=C(C(Cl)NCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1)N1Cc2ccccc2C(c2ccccc2)C1

MAK-UNK-702fb7d3-2
0.347

View
CCNc1ccc(C#N)cc1NCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-148caf23-5
0.346

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)c2cccnc2)c1

MAK-UNK-9a6be56d-5
0.345

View
CN1CCCc2ccc(S(N)(=O)=O)c(NCc3cc(-c4ccccc4F)n(S(=O)(=O)c4cccnc4)c3)c21

MAK-UNK-9a6be56d-27
0.345

View
N#Cc1ccc(NCCNCc2cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c2)nc1

MAK-UNK-148caf23-8
0.343

View
CCC(NCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1)c1ccc(C#N)cn1

MAK-UNK-148caf23-6
0.343

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=CCNc2ccc(C#N)cn2)c2cccnc2)c1

MAK-UNK-148caf23-14
0.343

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=COC(=O)c2ccc(S(N)(=O)=O)cc2)c2cccnc2)c1

MAK-UNK-de9577cf-22
0.343

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=CN2CCCc3ccc(S(N)(=O)=O)cc32)c2cccnc2)c1

MAK-UNK-9a6be56d-14
0.343

View
CN1c2cc(S(N)(=O)=O)ccc2CCC1NCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-9a6be56d-31
0.343

View
CN1CCCc2ccc(S(=O)(=O)N(C)Cc3cc(-c4ccccc4F)n(S(=O)(=O)c4cccnc4)c3)cc21

MAK-UNK-9a6be56d-3
0.340

View
CN1CCCc2cc(NCc3cc(-c4ccccc4F)n(S(=O)(=O)c4cccnc4)c3)c(S(N)(=O)=O)cc21

MAK-UNK-9a6be56d-26
0.340

View
CC(C)N(Cc1ccc(-c2ccccc2)s1)C(=O)C1CCN(C(=O)CCl)CC1

SAD-SAT-29425be4-16
0.339

View
NS(=O)(=O)c1ccc(C(=O)OCNCc2cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c2)cc1

MAK-UNK-de9577cf-10
0.338

View
CCNc1cc(NCc2cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c2)c(C#N)cn1

MAK-UNK-148caf23-2
0.338

View
CNCc1cc(-c2ccccc2F)n(CC(C)O)c1

MAK-UNK-0955449e-23
0.336

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2CNc2ccc(C#N)cn2)c1

MAK-UNK-148caf23-19
0.336

View
C[N+](Cc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1)=C(CCl)N1Cc2ccccc2C(c2ccccc2)C1

MAK-UNK-702fb7d3-19
0.333

View
CCNc1ncc(C#N)cc1NCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-148caf23-4
0.333

View
CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCN(C(=O)COc2ccccc2)CC1

0.488

View
CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCN(c2ccccc2F)C1

0.471

View
CCN(CC)C(=O)N1CCC(C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)CC1

0.464

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCN(C(=O)NC2CC2)CC1

0.464

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1

0.460

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CC(c1cccc(Cl)c1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1

0.459

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CC(c1cccc(Cl)c1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1

0.459

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1

0.459

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CC(c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1

0.459

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CCC(=O)N1CCC(C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)C1

0.458

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CC(=O)N1CCC(C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)CC1

0.457

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CC(c1cccc(Cl)c1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1

0.453

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CCOC(=O)N1CCC(C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)CC1

0.452

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCN(C(=O)c2ccccc2)CC1

0.452

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CC(c1ccc(F)c(F)c1)N(C)C(=O)C1CCN(C(=O)CCc2ccccc2)CC1

0.452

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CC(C)C(=O)N1CCC(C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)CC1

0.451

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCN(C(=O)N(C)C)CC1

0.451

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCC(F)CC1

0.449

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CSCC(C)C(=O)N1CCC(C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)CC1

0.448

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CC(c1cccc(Cl)c1)N(C)C(=O)C1CCN(C(=O)CCc2ccccc2)CC1

0.447

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCN(Cc2ccccc2)CC1

0.447

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CC(c1cccc(O)c1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1

0.447

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CC(c1ccc(F)c(F)c1)N(C)C(=O)C1CCN(C(=O)COc2ccccc2)CC1

0.447

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCN(C(=O)N2CCCC2)CC1

0.446

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCCN(C(=O)Cc2ccccc2)C1

0.443

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CC(c1cccc(Cl)c1)N(C)C(=O)C1CCN(C(=O)COc2ccccc2)CC1

0.442

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CC(C)COC(=O)N1CCC(C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)CC1

0.442

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CC(c1cccc(O)c1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1

0.442

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CC1

0.442

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COC(=O)N1CCC(C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)CC1

0.440

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CNS(=O)(=O)N1CCC(C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)CC1

0.440

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CC(C)N(C)C(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccccc2F)CC1

0.440

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCN(C(=O)OCc2ccccc2)C1

0.438

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CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N(C)C(C)c3ccc(F)c(F)c3)CC2)c1

0.437

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CC(c1ccc(F)c(F)c1)N(C)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1

0.437

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCN(CC(F)(F)F)CC1

0.435

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCN(CC(F)F)CC1

0.435

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCC(NC(=O)C2CC2)CC1

0.434

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CC(C)N(C)C(=O)C1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1

0.434

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CC(C)N(C)C(=O)C1CCN(C(=O)CS(=O)(=O)Cc2c(F)cccc2F)CC1

0.434

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCN(C)CC1

0.432

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CC(c1cccc(Cl)c1)N(C)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1

0.432

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CC(c1cccc(C(F)(F)F)c1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1

0.432

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CC(c1ccc(F)c(F)c1)N(C)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

0.432

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CC(c1cccc(C(F)(F)F)c1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1

0.432

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CNS(=O)(=O)c1cccc(C(C)NCC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)c1

0.432

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1

0.430

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CC(C)N(C)C(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccccc2F)CC1

0.430

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CC(c1cccc(O)c1)N(C)C(=O)C1CCN(C(=O)CCc2ccccc2)CC1

0.430

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CC(c1ccc(F)c(F)c1)N(C)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1

0.429

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CC(C)CN1CCC(C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)CC1

0.429

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CC(c1ccc(F)c(F)c1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1

0.429

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CC(c1cccc(Cl)c1)N(C)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

0.427

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CC(c1cccc(C(F)(F)F)c1)N(C)C(=O)C1CCN(C(=O)COc2ccccc2)CC1

0.427

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCN(C(=O)C=Cc2ccccc2)CC1

0.427

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CC(c1ccc(F)c(F)c1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1

0.427

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CNC(=O)N1CCC(C(=O)N(C)C(C)c2cccc(Cl)c2)CC1

0.427

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCC(C(C)(C)C)CC1

0.427

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CC[C@H]1CC[C@H](C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)CC1

0.427

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CC(C)N1CCC(C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)CC1

0.427

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CC(c1ccc(F)c(F)c1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

0.425

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CC(c1ccccc1F)N(C)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

0.425

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CC(c1ccc(Cl)c(Cl)c1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1

0.425

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Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)C(C)c3cccc(S(N)(=O)=O)c3)CC2)cc1C

0.425

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CC(c1cccc(O)c1)N(C)C(=O)C1CCN(C(=O)COc2ccccc2)CC1

0.425

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CC(C)N(C)C(=O)C1CCN(C(=O)CS(=O)(=O)Cc2c(F)cccc2Cl)CC1

0.425

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCC(C(=O)N(C)C)CC1

0.425

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCC(C2CC2)CC1

0.425

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CC(c1cccc(Cl)c1)N(C)C(=O)C1CCN(c2ccccc2F)C1

0.424

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CC(c1ccc(F)c(F)c1)N(C)C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1

0.424

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CC(c1cccc(Cl)c1)N(C)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1

0.424

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CCS(=O)(=O)N1CCC(C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)CC1

0.424

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CC(c1cccc(C(F)(F)F)c1)N(C)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1

0.422

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CCC(=O)N1CCC(C(=O)N(C)C(C)c2cccc(Cl)c2)C1

0.422

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCN(S(C)(=O)=O)CC1

0.422

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCC(C(F)(F)F)CC1

0.422

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCN(C2CC2)CC1

0.422

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)[C@@H]1CC[C@H](C)NC1

0.422

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CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N(C)C(C)c3ccccc3F)CC2)c1

0.420

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CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N(C)C(C)c3cccc(Cl)c3)CC2)c1

0.420

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CC(c1cccc(Cl)c1)N(C)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1

0.420

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CC(c1ccc(F)c(F)c1)N(C)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1

0.420

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CC(c1cccc(Cl)c1)N(C)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1

0.420

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CC(NCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)c1cccc(S(N)(=O)=O)c1

0.420

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CCCN(CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)Cc1c(F)cccc1Cl

0.420

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CC(c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)N1CCN(c2ccccc2F)CC1

0.420

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CNC(=O)N1CCC(C(=O)N(C)C(C)c2ccc(F)c(F)c2)CC1

0.420

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCC(O)CC1

0.420

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CC1CCC(C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)CC1

0.420

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)[C@H]1CC[C@H](C)CC1

0.420

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCC(F)C1

0.420

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCC(N)CC1

0.420

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CC(c1ccc(F)c(F)c1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1

0.419

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CC(c1ccc(F)c(F)c1)N(C)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1

0.419

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CCCCC1CCC(C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)CC1

0.419

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CCC(=O)N1CCCC(C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)C1

0.419

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C#CCN1CCC(C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)CC1

0.419

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCC(NC(=O)C2CCCC2)CC1

0.419

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CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C1CCC(NC(=O)C(C)(C)C)CC1

0.419

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CC(C)N(C)C(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(F)c2)CC1

0.419

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