Molecule Details

Molecular Properties
SMILES:
CC(=O)NCCc1c[nH]c2ccc(F)cc12
MW: 220.247
Fraction sp3: 0.25
HBA: 1
HBD: 2
Rotatable Bonds: 3
TPSA: 44.89
cLogP: 1.9856
Covalent Warhead:
Covalent Fragment:
Source
Enamine BB: FCH2718881
Enamine SCR: Z1220452176
Enamine REAL: Z1220452176
Enamine Extended REAL: s_22____9631354____58844
Mcule: MCULE-9702651152
MolPort: MolPort-001-973-143
CC(C)[C@H](O)C(=O)NCCc1c[nH]c2ccc(F)cc12

NAU-LAT-81109c57-1
0.721

View
O=C(O)CC(=O)NCCc1c[nH]c2ccc(F)cc12

MAK-UNK-be5ffcbc-8
0.712

View
NCCC(=O)NCCc1c[nH]c2ccc(F)cc12

NAU-LAT-81109c57-8
0.677

View
CC(=O)NCCc1c[nH]c2ccc(O)cc12

JOH-MSK-a63bdd1d-4
0.644

View
CC(=O)NCCc1c[nH]c2ccc(O)cc12

MAR-UCB-195bc32d-16
0.644

View
CC(=O)NCCc1c[nH]c2ccc(Cl)cc12

SAN-PRS-3c4a6997-1
0.633

View
COc1ccc2[nH]cc(CCNC(C)=O)c2c1

JOH-MSK-35a8745a-1
0.613

View
COc1ccc2[nH]cc(CCNC(C)=O)c2c1

ALE-ACE-2610ee4d-1
0.613

View
COc1ccc2[nH]cc(CCNC(C)=O)c2c1

MAR-UCB-195bc32d-21
0.613

View
CC(NC1COCC1O)C(=O)NCCc1c[nH]c2ccc(F)cc12

MAK-UNK-be5ffcbc-3
0.611

View
O=C(CN1CCNCC1)NCCc1c[nH]c2ccc(F)cc12

MAK-UNK-be5ffcbc-1
0.609

View
CC(=O)OCCc1c[nH]c2ccc(F)cc12

SAN-PRS-3c4a6997-4
0.607

View
CC(=O)NCCc1c[nH]c2ccc(C#N)cc12

DUN-NEW-f8ce3686-12
0.603

View
CC(=O)NCCc1c[nH]c2ccc(C#N)cc12

MAT-GIT-deadff56-1
0.603

View
CC(=O)NCCc1c[nH]c2ccc(C#N)cc12

JOH-MEM-4bb7e4cc-1
0.603

View
O=C(NCCc1c[nH]c2ccc(F)cc12)[C@@H]1CCCN1

NAU-LAT-81109c57-2
0.600

View
CN1CCC[C@H]1C(=O)NCCc1c[nH]c2ccc(F)cc12

NAU-LAT-81109c57-4
0.597

View
O=C(CN1CCOCC1)NCCc1c[nH]c2ccc(F)cc12

MAK-UNK-be5ffcbc-7
0.583

View
O=C(NCCc1c[nH]c2ccc(F)cc12)NCC1CCCCC1

FRA-LAB-04e32718-1
0.575

View
CC(=O)NCCc1c[nH]c2ccc(OS(=O)(=O)O)cc12

JOH-MSK-a63bdd1d-5
0.567

View
CC(=O)NCCc1c[nH]c2ccccc12

SAN-PRS-3c4a6997-2
0.541

View
O=C(Nc1ccccc1)Nc1ccc(C(=O)NCCc2c[nH]c3ccc(F)cc23)nc1

MAK-UNK-37f1d6fa-2
0.525

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O=C(O)NC(=O)Cc1c[nH]c2ccc(F)cc12

ABI-SAT-30e287c1-2
0.524

View
CC(=O)NCCc1c[nH]c2c(C(=O)O)cc(F)cc12

MAK-UNK-be5ffcbc-9
0.515

View
CNCc1c[nH]c2ccc(F)cc12

DAR-DIA-eace69ff-36
0.508

View
CC(=O)NCCc1c[nH]c2ccc(NC(=O)c3cncnc3)cc12

MAR-TRE-c317dd82-56
0.507

View
O=C(Nc1ccc(C(=O)NCCc2c[nH]c3ccc(F)cc23)cc1)Nc1cccnc1

MAK-UNK-37f1d6fa-7
0.506

View
O=C(Nc1ccccc1)Nc1cncc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c1

MAK-UNK-37f1d6fa-3
0.500

View
CC(=O)NCCc1c[nH]c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc12

JOH-MSK-a63bdd1d-6
0.500

View
O=C(Nc1cccnc1)Nc1cccc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c1

MAK-UNK-37f1d6fa-6
0.494

View
COc1cc2c(CCNC(C)=O)c[nH]c2cc1O

JOH-MSK-a63bdd1d-1
0.485

View
O=C(Nc1cccnc1)Nc1ccccc1C(=O)NCCc1c[nH]c2ccc(F)cc12

MAK-UNK-37f1d6fa-1
0.483

View
O=C(Nc1ccccc1)Nc1cnccc1C(=O)NCCc1c[nH]c2ccc(F)cc12

MAK-UNK-37f1d6fa-4
0.477

View
CN1CCN(C(=O)Cc2c[nH]c3nc(C(=O)NCCc4c[nH]c5ccc(F)cc45)ccc23)CC1

MAK-UNK-10572812-17
0.467

View
CC(=O)NCCc1c(O)[nH]c2ccc(F)cc12

SAN-PRS-3c4a6997-5
0.463

View
CN1CCN(C(=O)Cc2c[nH]c3nccc(C(=O)NCCc4c[nH]c5ccc(F)cc45)c23)CC1

MAK-UNK-10572812-15
0.462

View
O=C(Cc1c[nH]c2ncccc12)N1CCN(C(=O)NCCc2c[nH]c3ccc(F)cc23)CC1

MAK-UNK-10572812-9
0.462

View
CN1CCN(C(=O)C(C(=O)NCCc2c[nH]c3ccc(F)cc23)c2c[nH]c3ncccc23)CC1

MAK-UNK-10572812-3
0.458

View
CN1CCN(C(=O)Cc2c[nH]c3ncc(C(=O)NCCc4c[nH]c5ccc(F)cc45)cc23)CC1

MAK-UNK-10572812-16
0.457

View
CN1CCN(C(=O)Cc2c(C(=O)NCCc3c[nH]c4ccc(F)cc34)[nH]c3ncccc23)CC1

MAK-UNK-10572812-14
0.453

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CC(=O)NCCc1c[nH]c2c(CN(C)C(C)=O)cc(F)cc12

WIL-LEE-1f71e281-6
0.452

View
O=C(O)C(Cc1c[nH]c2ccc(F)cc12)Nc1cncnc1

MAR-TRE-85681e92-60
0.447

View
CC(=O)NCCc1c[nH]c2c(CCNS(C)(=O)=O)cc(F)cc12

ELE-IMP-dfb36048-1
0.446

View
CC(=O)NCCc1c[nH]c2c(CCNS(C)(=O)=O)cc(F)cc12

SAM-UNK-903735bd-2
0.446

View
CC(=O)NCCc1c[nH]c2c(CCNS(C)(=O)=O)cc(F)cc12

SIM-DEM-265738e1-1
0.446

View
CC(=O)NCCc1c[nH]c2c(CCNS(C)(=O)=O)cc(F)cc12

TAM-UNI-c140e31a-15
0.446

View
COc1cc2c(CCNC(C)=O)c[nH]c2cc1OS(=O)(=O)O

WIL-LEE-364b6ea8-13
0.446

View
COc1cc2c(CCNC(C)=O)c[nH]c2cc1OS(=O)(=O)O

JOH-MSK-a63bdd1d-2
0.446

View
CC(=O)NCCc1c[nH]c2c(CCNS(C)(=O)=O)cc(F)cc12

PET-SGC-f818f65b-1
0.446

View
COc1cc(Nc2cc(F)cc3c(CCNC(C)=O)c[nH]c23)cc(OC)c1

GAB-REV-4a4e2ff3-6
0.443

View
O=C(CN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1)NCCc1c[nH]c2ccc(F)cc12

MAK-UNK-10572812-8
0.442

View
CC(=O)NCCc1c[nH]c2c(Nc3ccc(NC(C)=O)cc3)cc(F)cc12

GAB-REV-4a4e2ff3-14
0.442

View
CC(=O)NCCc1c[nH]c2c(OCc3ccccc3)cc(F)cc12

NAU-LAT-81109c57-5
0.438

View
CC(=O)NCCc1cn(C)c2ccc(F)cc12

SAN-PRS-3c4a6997-3
0.435

View
CC(=O)NCCc1c[nH]c2c(C(C)NC(=O)CCl)cc(F)cc12

JOK-SYG-b7365cd7-1
0.434

View
CC(=O)NCCc1c[nH]c2c(NS(=O)(=O)c3ccccc3)cc(F)cc12

NAU-LAT-81109c57-3
0.432

View
COc1ccc(Cc2cc(F)cc3c(CCNC(C)=O)c[nH]c23)cc1OC

GAB-REV-4a4e2ff3-8
0.432

View
CC(=O)NCCc1c[nH]c2c(CN3CCC(O)CC3)cc(F)cc12

SAM-UNK-903735bd-1
0.430

View
CC(=O)NCCc1c[nH]c2c(Cc3nnc(C)s3)cc(F)cc12

ASH-UNK-40b46b30-5
0.430

View
CN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1C(=O)NCCc1c[nH]c2ccc(F)cc12

MAK-UNK-10572812-7
0.430

View
CN1CCN(C(=O)Cc2c[nH]c3ncccc23)C(C(=O)NCCc2c[nH]c3ccc(F)cc23)C1

MAK-UNK-10572812-6
0.430

View
CC(=O)NCCc1c[nH]c2c(N3CCNCC3)cc(F)cc12

MAK-UNK-be5ffcbc-6
0.429

View
CC(=O)NCCc1c[nH]c2c(C(C)NC3COCC3O)cc(F)cc12

MAK-UNK-be5ffcbc-5
0.427

View
Cn1ccn(C(Cc2c[nH]c3ccc(F)cc23)C(=O)O)c1=[Au+]Cl

MAR-TRE-4f39ef4a-26
0.425

View
CC(=O)NCCc1c[nH]c2c(Cc3nc4ccccc4[nH]3)cc(F)cc12

GAB-REV-4a4e2ff3-3
0.424

View
CC(=O)NCCc1c[nH]c2c(CN3CCNCC3)cc(F)cc12

MAK-UNK-be5ffcbc-2
0.423

View
O=C(NCCc1c[nH]c2ccc(Br)cc12)c1cncnc1

MAR-TRE-92684b97-67
0.421

View
CC(=O)NCCc1c[nH]c2c(CN3CCOCC3)cc(F)cc12

MAK-UNK-be5ffcbc-4
0.418

View
CC(=O)NCCc1c[nH]c2c(CC(=O)Nc3ccncc3)cc(F)cc12

TAM-UNI-c140e31a-2
0.415

View
C=CC(=O)NCCNc1cc(F)cc2c(CCNC(C)=O)c[nH]c12

LON-WEI-af038623-6
0.412

View
CC(=O)NCCc1c[nH]c2c(C(=O)N3CCN(C(=O)CCl)CC3)cc(F)cc12

NAU-LAT-81109c57-6
0.410

View
CC(=O)NCCc1c[nH]c2c(CNc3cc4ccccc4[nH]3)cc(F)cc12

GAB-REV-4a4e2ff3-15
0.407

View
CC(=O)NCCc1c[nH]c2c(NCc3ncccn3)cc(F)cc12

GAB-REV-4a4e2ff3-21
0.402

View
COc1ccc2[nH]cc(CCNC(=O)c3cncnc3)c2c1

MAR-TRE-be9ff7d2-73
0.400

View
CC(=O)NCCc1c[nH]c2ccc(CC(=O)N3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)cc12

JAR-IMP-ed466bb3-19
0.396

View
CC(=O)NCCc1c[nH]c2c(Oc3ccc4cn[nH]c4c3)cc(F)cc12

GAB-REV-4a4e2ff3-9
0.396

View
CC(=O)NCCc1c[nH]c2c(NC3CCN(C(=O)CCl)CC3)cc(F)cc12

NIR-THE-0d6461ce-3
0.395

View
CC(=O)NCCc1c[nH]c2c(NC(=O)Nc3cccnc3)cc(F)cc12

ASH-UNK-40b46b30-7
0.395

View
CC(=O)NCCc1c[nH]c2c(CN3CCN(C(=O)CCl)CC3)cc(F)cc12

DAR-DIA-fb20be43-11
0.393

View
CC(=O)NCCc1c[nH]c2c(CN3CCN(C(=O)CCl)CC3)cc(F)cc12

STU-CHA-bc0a9883-1
0.393

View
CC(=O)NCCc1c[nH]c2c(CN3CCN(C(=O)CCl)CC3)cc(F)cc12

NAU-LAT-f723e322-1
0.393

View
CC(=O)NCCc1c[nH]c2c(CN3CCN(C(=O)CCl)CC3)cc(F)cc12

JOK-SYG-302da050-1
0.393

View
CC(=O)NCCc1c[nH]c2c(CN3CCN(C(=O)C#N)CC3)cc(F)cc12

NAU-LAT-f723e322-2
0.388

View
CC(=O)NCCc1c[nH]c2c(C(C)NC(C)=O)cc(Cl)cc12

ROB-UNI-b2e39629-6
0.387

View
CC(=O)NCCc1c[nH]c2c(N(C)c3cc4c(cc3Cl)OCO4)cc(F)cc12

GAB-REV-4a4e2ff3-19
0.386

View
CC(=O)NCCc1c[nH]c2c(NCc3ccccc3C#N)cc(F)cc12

GAB-REV-4a4e2ff3-13
0.386

View
CC(=O)NCCc1c[nH]c2c(CC3CCN(C(=O)CCl)CC3)cc(F)cc12

NIR-THE-0d6461ce-2
0.384

View
CC(=O)NCCc1c[nH]c2c(N(C)Cc3ccc4[nH]ncc4c3)cc(F)cc12

GAB-REV-4a4e2ff3-17
0.383

View
CC(=O)NCCc1c[nH]c2c(CC(=O)Nc3cnccc3C)cc(F)cc12

PET-SGC-1c3a473d-1
0.382

View
CC(=O)NCCc1c[nH]c2c(-c3cccc(-c4ccn[nH]4)c3)cc(F)cc12

GAB-REV-4a4e2ff3-5
0.382

View
CC(=O)NCCc1c[nH]c2c(OCc3ccc4nc[nH]c4c3)cc(F)cc12

GAB-REV-4a4e2ff3-2
0.380

View
CC(=O)NCc1c[nH]c2ccc(C#N)cc12

SCO-VAN-260d9628-5
0.380

View
COc1c(O)cc2[nH]cc(CCNC(C)=O)c2c1O

JOH-MEM-5e386bbd-8
0.378

View
CC(=O)NCCc1c[nH]c2c(Nc3nc4ccccc4o3)cc(F)cc12

GAB-REV-4a4e2ff3-18
0.378

View
CC(=O)NCCc1c[nH]c2c(NCC(=O)Nc3cccnc3)cc(F)cc12

TAM-UNI-c140e31a-3
0.378

View
CC(=O)NCCc1c[nH]c2c(NCc3ccc4nc[nH]c4c3)cc(F)cc12

GAB-REV-4a4e2ff3-20
0.376

View
COCCOc1ncccc1NC(=O)Cc1c[nH]c2ccc(F)cc12

MAR-TRE-7f7bb9f0-83
0.375

View
CC(=O)NCCc1c[nH]c2c(NS(=O)(=O)Cc3ccc4[nH]ncc4c3)cc(F)cc12

GAB-REV-4a4e2ff3-12
0.375

View
CC(=O)NCCc1c[nH]c2c(CC3CC4CC3CN4C(=O)CCl)cc(F)cc12

MAK-UNK-ec98eaf6-33
0.375

View
CC(=O)NCCc1c[nH]c2c(CNC(=O)Cc3c[nH]c4ncccc34)cc(F)cc12

NAU-LAT-81109c57-7
0.374

View
CC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.741

View
CC(=O)NCCC1=C[NH]C2=CC=C(C)C=C12

0.644

View
CC(=O)NCCC1=C[NH]C2=CC=C(O)C=C12

0.644

View
CC(=O)NCCNC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.642

View
CC(=O)NCCCNC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.642

View
CC(C)C(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.635

View
CC(=O)NCCC1=C[NH]C2=CC=C(Cl)C=C12

0.633

View
CC(=O)NCCC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.632

View
CC(=O)NCC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.627

View
CCC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.625

View
CC(C)=CC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.621

View
CC=C(C)C(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.615

View
CC(=O)NCCNC(=O)CCC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.614

View
NC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.613

View
CC(=O)NCCNC(=O)CC1=C[NH]C2=CC=C(F)C=C12

0.609

View
CC(=O)NC(C)C(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.609

View
CC(=O)NCCC1=C[NH]C2=CC(F)=CC=C12

0.607

View
CC(Cl)=CC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.603

View
CNC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.600

View
CN(C)C(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.600

View
COC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.600

View
NNC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.600

View
CC(=O)NCCCCCC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.597

View
CC(C)=C(C)C(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.597

View
CC(=O)NCC(=O)NCC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.592

View
CCC(NC(C)=O)C(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.592

View
CC(C)(C)C(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.591

View
O=C(CC1=C[NH]C2=CC=C(F)C=C12)NCCC1=C[NH]C2=CC=C(Br)C=C12

0.586

View
CC(=O)NC(C)(C)C(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.586

View
CC(=O)NCC(C)(C)C(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.583

View
CC(=O)NCCCNC(=O)CC1=C[NH]C2=CC=C(F)C=C12

0.582

View
CNC(=O)C(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.582

View
CCNC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.582

View
CC(F)(F)C(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.582

View
CCCCNC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.582

View
CCCC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.582

View
CC(=O)CCC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.580

View
CC(=O)NCCC1=CC=C(S(=O)(=O)NCCCC2=C[NH]C3=CC=C(F)C=C23)C=C1

0.577

View
CC(=O)NCCC1=NOC(CC2=C[NH]C3=CC=C(F)C=C23)=N1

0.575

View
CC(=O)NC(CC(C)C)C(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.575

View
CC(=O)N[C@@H](CC(C)C)C(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.575

View
CC(=O)N[C@H](CC(C)C)C(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.575

View
CCCNC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.574

View
O=C(CC1=C[NH]C2=CC=C(F)C=C12)NCCC1=C[NH]C2=CC=C(Cl)C=C12

0.569

View
CC(=O)NC1=CC=C(NC(=O)NCCCC2=C[NH]C3=CC=C(F)C=C23)C=C1

0.569

View
CC(=O)NCC1=CC=C(CNC(=O)NCCCC2=C[NH]C3=CC=C(F)C=C23)C=C1

0.568

View
COC1=CC=C2[NH]C=C(CCNC(=O)CC3=C[NH]C4=CC=C(F)C=C34)C2=C1

0.568

View
CS(=O)(=O)CC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.565

View
CC(=O)CCCC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.563

View
O=C(CC1=C[NH]C2=CC=C(F)C=C12)NCCC1=C[NH]C2=CC=C([N+](=O)[O-])C=C12

0.560

View
O=C(CC1=C[NH]C2=CC=C(F)C=C12)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.559

View
COC1=CC=C2[NH]C=C(CCNC(=O)NCCCC3=C[NH]C4=CC=C(F)C=C34)C2=C1

0.558

View
CC(=O)NCCCOC(=O)CC1=C[NH]C2=CC=C(F)C=C12

0.557

View
O=C(CC1=C[NH]C2=CC=C(F)C=C12)NCCC1=C[NH]C2=CC(F)=CC=C12

0.556

View
CS(=O)CCCNC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.556

View
CC(=O)NCCC1=CC=C(S(=O)(=O)NCCCC2=C[NH]C3=CC=C(F)C=C23)S1

0.556

View
CC(=O)C1=CC=C(C(=O)NCCCC2=C[NH]C3=CC=C(F)C=C23)C=C1

0.556

View
CC(=O)NC1=CC=C(NC(=O)C(=O)NCCCC2=C[NH]C3=CC=C(F)C=C23)C=C1

0.554

View
CC(=O)NCC1=CC=C(C(=O)NCCCC2=C[NH]C3=CC=C(F)C=C23)C=C1

0.553

View
CNC(=O)CCC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.549

View
CC1=CC(F)=CC=C1CCNC(=O)CC1=C[NH]C2=CC=C(F)C=C12

0.549

View
O=C(CC1=C[NH]C2=CC=C(F)C=C12)NCCC1=C[NH]C2=CC=CC=C12

0.548

View
CC(=O)C1=CC=C(C(=O)NCCCC2=C[NH]C3=CC=C(F)C=C23)[NH]1

0.548

View
O=C(NCCCC1=C[NH]C2=CC=C(F)C=C12)NCCC1=C[NH]C2=CC=CC=C12

0.539

View
CC(=O)NCCNC(=O)NCCC1=C[NH]C2=CC=C(Br)C=C12

0.536

View
O=C(CC1=C[NH]C2=CC=C(F)C=C12)NCCC1=CC=C(F)C=C1F

0.535

View
CS(=O)CCNC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.534

View
CNC(=O)CCCCC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.534

View
CNC(=O)CCCC(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.534

View
CC(=O)C1=CC=CC=C1C(=O)NCCCC1=C[NH]C2=CC=C(F)C=C12

0.533

View
CC1=CC=C2C(CCNC(=O)CC3=C[NH]C4=CC=C(F)C=C34)=C[NH]C2=C1

0.532

View
CC(=O)NCCC(=O)NCCC1=C[NH]C2=CC=C(Br)C=C12

0.529

View
CC(=O)NCC1=CC=CC(CNC(=O)NCCCC2=C[NH]C3=CC=C(F)C=C23)=C1

0.525

View
CC(=O)NCCC1=CC=C(C(=O)COC(=O)CC2=C[NH]C3=CC=C(F)C=C23)C=C1

0.525

View
O=C(NCCCC1=C[NH]C2=CC=C(F)C=C12)NCCC1=CC=CC=C1F

0.519

View
CC(=O)NCCNC(=O)NCCC1=C[NH]C2=CC=C(C)C=C12

0.514

View
CC(=O)NCCC(=O)NCCC1=C[NH]C2=CC=C(C)C=C12

0.514

View
CC(=O)NCCNC(=O)CCC(=O)NCCC1=C[NH]C2=CC=C(Br)C=C12

0.514

View
CC(=O)NCCNC(=O)NCCC1=C[NH]C2=CC=C(Cl)C=C12

0.507

View
CC(=O)NCCC(=O)NCCC1=C[NH]C2=CC=C(O)C=C12

0.507

View
CC1=CC=CC=C1CCNC(=O)CC1=C[NH]C2=CC=C(F)C=C12

0.507

View
O=C(CC1=C[NH]C2=CC=C(F)C=C12)NCCC1=CC=CC=C1F

0.500

View
CC1=CC=C2[NH]C=C(CCNC(=O)C3=CC=C(F)C=C3)C2=C1

0.500

View
CS(=O)CCNC(=O)CC1=C[NH]C2=CC=C(F)C=C12

0.500

View
CC(=O)NCCCNC(=O)NCCC1=C[NH]C2=CC=C(C)C=C12

0.493

View
CC1=CC=C2[NH]C=C(CCNC(N)=O)C2=C1

0.492

View
CC(=O)NCCNC(=O)CCC(=O)NCCC1=C[NH]C2=CC=C(Cl)C=C12

0.486

View
CC(=O)NCCNC(=O)NCCC1=C[NH]C2=CC(F)=CC=C12

0.486

View
CC(=O)NCCC(=O)NCCC1=C[NH]C2=CC(F)=CC=C12

0.479

View
CC(=O)NCC(=O)NCCC1=C[NH]C2=CC(F)=CC=C12

0.472

View
CC(C)C(=O)NCCC1=C[NH]C2=CC(F)=CC=C12

0.471

View
CC(=O)NCCNC(=O)CCC(=O)NCCC1=C[NH]C2=CC(F)=CC=C12

0.467

View
CC(=O)NCCCNC(=O)NCCC1=C[NH]C2=CC(F)=CC=C12

0.467

View
CC(=O)NCCCNC(=O)C(=O)NCCC1=C[NH]C2=CC(F)=CC=C12

0.467

View
NC(=O)NCCC1=C[NH]C2=CC(F)=CC=C12

0.463

View
CC(=O)NCC(C)(C)C(=O)NCCC1=C[NH]C2=CC(F)=CC=C12

0.453

View
O=C(NCCC1=C[NH]C2=CC(F)=CC=C12)NCCC1=C[NH]C2=CC(F)=CC=C12

0.448

View
O=C(NCCC1=C[NH]C2=CC(F)=CC=C12)C(=O)NCCC1=C[NH]C2=CC(F)=CC=C12

0.448

View
CC(=O)NCC(=O)NCC(=O)NCCC1=C[NH]C2=CC(F)=CC=C12

0.447

View
CC(=O)NCCCCCC(=O)NCCC1=C[NH]C2=CC(F)=CC=C12

0.443

View
CC(=O)NCCc1c[nH]c2ccc(F)cc12

1.000

View
NC(=O)NCCc1c[nH]c2ccc(F)cc12

0.764

View
Fc1ccc2[nH]cc(CCNC(=O)CCl)c2c1

0.737

View
CC(C)(C)OC(=O)NCCc1c[nH]c2ccc(F)cc12

0.694

View
CSCC(C)C(=O)NCCc1c[nH]c2ccc(F)cc12

0.688

View
Fc1ccc(cc1)C(=O)NCCc1c[nH]c2ccc(F)cc12

0.677

View
NC(=O)NC(CO)C(=O)NCCc1c[nH]c2ccc(F)cc12

0.667

View
CC1(COC1)C(=O)NCCc1c[nH]c2ccc(F)cc12

0.652

View
Cc1ccc(cc1)C(=O)NCCc1c[nH]c2ccc(F)cc12

0.652

View
CCN(C(C)CN(C)C)C(=O)NCCc1c[nH]c2ccc(F)cc12

0.638

View
Fc1ccc2[nH]cc(CCNC(=O)Nc3ccccc3)c2c1

0.636

View
CC(=O)NCCc1c[nH]c2ccc(Cl)cc12

0.633

View
Fc1ccc2[nH]cc(CCNC(=O)c3ccncc3)c2c1

0.627

View
Fc1ccc2[nH]cc(CCNC(=O)COC3CCCC3)c2c1

0.614

View
Fc1ccc2[nH]cc(CCNC(=O)NC3CCCC3)c2c1

0.609

View
Fc1ccc2[nH]cc(CCNC(=O)Cc3c[nH]c4ccccc34)c2c1

0.592

View
Fc1ccc2[nH]cc(CCNC(=O)N(CC=C)C3CC3)c2c1

0.592

View
[Cl-].[NH3+]CCc1c[nH]c2ccc(F)cc12

0.589

View
Fc1ccc2[nH]cc(CCNC(=O)CCOCC(F)(F)F)c2c1

0.583

View
Fc1ccc2[nH]cc(CCNC(=O)CCc3c[nH]c4ccccc34)c2c1

0.583

View
[Cl].NCCc1c[nH]c2ccc(F)cc12 |^1:0|

0.561

View
CC(=O)NCCc1c[nH]c2ccccc12

0.541

View
Fc1ccc2[nH]cc(CCNC(=O)Cn3ccc4ccccc34)c2c1

0.538

View
CCN(CCCN1CCCC1)C(=O)NCCc1c[nH]c2ccc(F)cc12

0.537

View
Cc1ccc2[nH]cc(CCNC(=O)Cc3ccc(F)cc3)c2c1

0.507

View
Fc1ccc(cc1)C1(CNC(=O)Cc2c[nH]c3ccc(F)cc23)CC1

0.459

View
CCN(CC(N)=O)C(=O)Cc1c[nH]c2ccc(F)cc12

0.451

View
Fc1ccc2[nH]cc(CC(=O)NCC3(CC3)c3ccccc3)c2c1

0.442

View
CC(C)N(C)CC(=O)NCCc1c[nH]c2cc(F)ccc12

0.427

View
CCN(CCCN(C)C)C(=O)Cc1c[nH]c2ccc(F)cc12

0.421

View
CSCC(=O)NCCc1c[nH]c2cc(F)ccc12

0.419

View
CC(C)C(=O)NCCc1c[nH]c2ccccc12

0.412

View
CCCN(CCCN(C)C)C(=O)Cc1c[nH]c2ccc(F)cc12

0.410

View
CCN(CC)CC(=O)NCCc1c[nH]c2cc(F)ccc12

0.408

View
Fc1ccc(CC(=O)NCCc2c[nH]c3ccccc23)cc1

0.405

View
Fc1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12

0.405

View
Fc1cccc(CC(=O)NCCc2c[nH]c3ccccc23)c1

0.397

View
FCC(=O)NCCc1c[nH]c2ccccc12

0.391

View
O=C(NCCc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12

0.388

View
CCC(=O)NCCc1c[nH]c2ccccc12

0.386

View
CC(C)(C)C(=O)NCCc1c[nH]c2ccccc12

0.380

View
FC(F)(F)C(=O)NCCc1c[nH]c2ccccc12

0.380

View
ClCC(=O)NCCc1c[nH]c2ccccc12

0.377

View
CNC(=O)C(=O)NCCc1c[nH]c2ccccc12

0.375

View
Fc1ccc(C=CC(=O)NCCc2c[nH]c3ccccc23)cc1 |w:5.4|

0.375

View
CCCC(=O)NCCc1c[nH]c2ccccc12

0.375

View
Fc1ccc(cc1)C1(CC1)C(=O)NCCc1c[nH]c2ccccc12

0.370

View
COCC(=O)NCCc1c[nH]c2ccccc12

0.370

View
CCNC(=O)C(=O)NCCc1c[nH]c2ccccc12

0.370

View
CCCNC(=O)C(=O)NCCc1c[nH]c2ccccc12

0.370

View
C\C=C\C(=O)NCCc1c[nH]c2ccccc12

0.365

View
C=CC(=O)NCCc1c[nH]c2ccccc12

0.361

View
Cl.NCC(=O)NCCc1c[nH]c2ccccc12

0.361

View
Fc1ccccc1CC(=O)NCCc1c[nH]c2ccccc12

0.359

View
Cl.NCCC(=O)NCCc1c[nH]c2ccccc12

0.351

View
ClCCC(=O)NCCc1c[nH]c2ccccc12

0.351

View
O=C(Cc1ccccc1)NCCc1c[nH]c2ccccc12

0.351

View
Cl.CCNCC(=O)NCCc1c[nH]c2ccccc12

0.351

View
O=C(CC#N)NCCc1c[nH]c2ccccc12

0.347

View
O=C(NCCc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1

0.338

View
Fc1ccc(CCNC(=O)Cc2c[nH]c3ccccc23)cc1

0.325

View
O=CNCCc1c[nH]c2ccccc12

0.296

View
Cl.NCCc1c[nH]c2c(F)cc(F)cc12

0.239

View
C(NCCC1C2=C(C=CC(=C2)F)NC=1)(C1=CC=C(F)C=C1)=O

0.677

View
C(NCCC1C2=C(C=CC(=C2)F)NC=1)(=O)C1=CC=CC=C1

0.656

View
C(NCCC1C2=C(C=CC(=C2)F)NC=1)(=O)C1NC=CC=1

0.656

View
C(NCCC1C2=C(C=CC(=C2)F)NC=1)(=O)C1=CC=C(C)C=C1

0.652

View
C(NCCC1C2=C(C=CC(=C2)F)NC=1)(=O)C1=CNC=C1

0.646

View
C(NCCC1C2=C(C=CC(=C2)F)NC=1)(C1=NC=CC=C1)=O

0.636

View
C(NCCC1C2=C(C=CC(=C2)F)NC=1)(C1=CC=NC=C1)=O

0.627

View
C(NCCC1C2=C(C=CC(=C2)F)NC=1)(=O)C1C=CC=C(C)C=1

0.623

View
C(NCCC1C2=C(C=CC(=C2)F)NC=1)(C1=CC=CN=C1)=O

0.600

View
C(NCCC1=C(C)NC2=C1C=C(C=C2)F)(=O)C

0.463

View
C(NCCC1=C(C)NC2=C1C=C(C=C2)F)(=O)CC

0.347

View
C(NCCC1=C(C)NC2=C1C=C(C=C2)F)(=O)CCC

0.338

View
C(NCCC1=C(C)NC2=C1C=C(C=C2)F)(=O)COC

0.333

View
C(NCCC1=C(C)NC2=C1C=C(C=C2)F)(=O)CC=C

0.329

View
C(NCCC1=C(C)NC2=C1C=C(C=C2)F)(=O)CC#N

0.325

View
C(NCCF)(=O)CC1C2=C(C=CC=C2)NC=1

0.297

View
C(NCCC)(=O)CC1C2=C(C=CC=C2)NC=1

0.280

View
C(NCC)(=O)CC1C2=C(C=CC=C2)NC=1

0.274

View
C(NC)(=O)CC1C2=C(C=CC=C2)NC=1

0.271

View

Discussion: