Molecule Details

Molecular Properties
SMILES:
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2ccccc2)CC1
MW: 333.391
Fraction sp3: 0.2
HBA: 3
HBD: 1
Rotatable Bonds: 2
TPSA: 56.41
cLogP: 2.4905
Covalent Warhead:
Covalent Fragment:
Source
Enamine SCR: Z27770229
Mcule: MCULE-5436428525
MolPort: MolPort-004-047-361
Activity Data
IC50 (µM) - Fluorescence: 27.5248950634011
IC50 (µM) - RapidFire: 10.4027223020164
Trypsin IC50 (µM): 99.0
pIC50 (µM) - Fluorescence 4.56027432806821
Average Inhibition @ 50 µM - Fluorescence: 54.07172
Average Inhibition @ 20 µM - RapidFire: 66.63
Average Inhibition @ 50 µM - RapidFire: 78.785
Relative Solubility @ 20 µM: 1.0
Relative Solubility @ 100 µM: 1.0
Order Status
Shipped: 2020-04-27
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2ccccc2)CC1

MAT-POS-916a2c5a-4
1.000

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2ccc(F)cc2)CC1

BEN-DND-7e92b6ca-14
0.788

View
COc1ccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)cc1

BEN-DND-7e92b6ca-11
0.732

View
COc1ccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)cc1

KRI-MAR-d2e3ef86-13
0.732

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2cccc(F)c2)CC1

BEN-DND-7e92b6ca-15
0.708

View
COc1cccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1

BEN-DND-7e92b6ca-12
0.689

View
O=C(c1ccccc1)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1

BEN-DND-7e92b6ca-6
0.687

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2ccccc2F)CC1

BEN-DND-7e92b6ca-16
0.653

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2ccccc2)CC1

KRI-MAR-d2e3ef86-5
0.630

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2ccccc2)CC1

BEN-DND-7e92b6ca-10
0.630

View
COc1ccccc1N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1

BEN-DND-7e92b6ca-13
0.618

View
O=C1CC(Oc2cccc(N3CCN(C(=O)c4cc(=O)[nH]c5ccccc45)CC3)c2)N1

ERI-UCB-ce40166b-21
0.614

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1

BEN-DND-7e92b6ca-7
0.613

View
Cc1cccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C

KRI-MAR-d2e3ef86-7
0.610

View
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C

KRI-MAR-d2e3ef86-4
0.556

View
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C

MAT-POS-916a2c5a-3
0.556

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2cccc3ccccc23)CC1

KRI-MAR-d2e3ef86-6
0.549

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2ccccc2F)CC1

ALP-POS-3fc1724e-3
0.543

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCn2ccnc2C1

BEN-DND-7e92b6ca-9
0.531

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CC2CC1CN2c1ccccc1

MAK-UNK-df1a028e-3
0.525

View
O=C1CN(c2cccc(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccccc12

JAN-GHE-82a280f8-1
0.477

View
CN1CCN(c2ccc(NC(=O)c3cc(=O)[nH]c4ccccc34)cc2)CC1

KRI-MAR-d2e3ef86-15
0.476

View
COc1cc(Cl)cc(CN2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1F

ALP-POS-3fc1724e-4
0.473

View
O=C1C(=O)N(C(=O)c2cc(=O)[nH]c3ccccc23)c2ccccc21

DAR-DIA-53551c05-22
0.432

View
O=C(c1cc(=O)[nH]c2cc(F)ccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1

MAT-POS-590ac91e-57
0.432

View
Cc1cc(C)c(C)c(S(=O)(=O)N2CC3CC2CN3C(=O)c2cc(=O)[nH]c3ccccc23)c1C

MAK-UNK-df1a028e-2
0.409

View
O=C(c1cc(=O)[nH]c2ccc(Cl)cc12)N1CCN(S(=O)(=O)c2ccccc2)CC1

MAT-POS-590ac91e-58
0.404

View
O=C1C(=O)N(C(=O)c2cc(=O)[nH]c3ccccc23)c2cc(Br)ccc21

DAR-DIA-53551c05-20
0.402

View
O=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CCN(S(=O)(=O)c2ccccc2)CC1

MAT-POS-590ac91e-56
0.400

View
O=C(Nc1ccccc1N1CCCCC1)c1cc(=O)[nH]c2ccccc12

KRI-MAR-d2e3ef86-12
0.398

View
O=C(NCCNc1ccccc1)c1cc(=O)[nH]c2ccccc12

BEN-DND-7e92b6ca-4
0.386

View
O=C(NCCOc1ccccc1)c1cc(=O)[nH]c2ccccc12

BEN-DND-7e92b6ca-5
0.381

View
CN(CCNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1

BEN-DND-7e92b6ca-3
0.379

View
O=C(c1cc(=O)[nH]c2ccc(Cl)cc12)N1CCN(S(=O)(=O)c2ccccc2F)CC1

MAT-POS-590ac91e-70
0.376

View
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)CC1

MAT-POS-590ac91e-61
0.375

View
N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4cc(F)ccc34)CC2)cc1

MAT-POS-590ac91e-60
0.368

View
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4cc(F)ccc34)CC2)cc1

MAT-POS-590ac91e-65
0.365

View
O=C1C(=O)N(C(=O)c2cc(=O)[nH]c3ccccc23)c2cc(-c3cccc(Cl)c3)ccc21

DAR-DIA-53551c05-17
0.365

View
O=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1

MAT-POS-590ac91e-68
0.362

View
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4cc(F)ccc34)CC2)c(C)c1

MAT-POS-590ac91e-63
0.351

View
COc1ccccc1OCC(NC(=O)c1cc(=O)[nH]c2ccccc12)N1CCC1

DAR-DIA-8e329c92-5
0.347

View
O=C(NCCc1cccc2ccccc12)c1cc(=O)[nH]c2ccccc12

DAR-DIA-8e329c92-9
0.344

View
O=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1

MAT-POS-590ac91e-69
0.344

View
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(=O)[nH]c3ccc(F)cc23)CC1

MAT-POS-590ac91e-62
0.343

View
Cn1c(=O)n(CCNC(=O)c2cc(=O)[nH]c3ccccc23)c2ccccc21

ADA-UCB-b1b30a00-1
0.340

View
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccc(Cl)cc34)CC2)cc1

MAT-POS-590ac91e-66
0.337

View
O=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1

MAT-POS-590ac91e-67
0.337

View
COc1ccccc1OCC(NC(=O)c1cc(=O)[nH]c2ccccc12)N1CCCCC1

DAR-DIA-8e329c92-7
0.333

View
COc1ccccc1O[C@H]1CC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccccc12

MAT-UCB-70f7c0f7-4
0.330

View
COc1cccc(NCNC(=O)c2cc(=O)[nH]c3ccccc23)c1

DAR-DIA-8e329c92-10
0.330

View
O=C1CC(Oc2cc(Cl)cc(-c3ccc4c(c3)N(C(=O)c3cc(=O)[nH]c5ccccc35)C(=O)C4=O)c2)N1

DAR-DIA-53551c05-15
0.327

View
N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccc(F)cc34)CC2)cc1

MAT-POS-590ac91e-59
0.327

View
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccc(F)cc34)CC2)c(C)c1

MAT-POS-590ac91e-64
0.327

View
COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2ccccc12

MAT-POS-916a2c5a-2
0.323

View
COc1ccccc1OCCN(C)C(=O)c1cc(=O)[nH]c2ccccc12

BEN-DND-7e92b6ca-2
0.323

View
COc1ccccc1OCC(NC(=O)c1cc(=O)[nH]c2ccccc12)C1CC1

DAR-DIA-8e329c92-4
0.320

View
COc1ccccc1OCC(CN1CCOCC1)NC(=O)c1cc(=O)[nH]c2ccccc12

DAR-DIA-8e329c92-8
0.318

View
COc1ccc(Cl)cc1OCCNC(=O)c1cc(=O)[nH]c2ccccc12

ALP-POS-05819dc4-1
0.316

View
COc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccccc12

ADA-UCB-b1b30a00-2
0.313

View
COc1ccccc1O[C@H]1CCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccccc12

MAT-UCB-70f7c0f7-3
0.313

View
O=C(CCc1cccc(Cl)c1)N(C(=O)c1cc(=O)[nH]c2ccccc12)C1CC1

JAN-GHE-82a280f8-2
0.313

View
O=C(COc1cccc(Cl)c1)N(C(=O)c1cc(=O)[nH]c2ccccc12)C1CC1

JAN-GHE-82a280f8-3
0.313

View
CCOc1ccccc1OC1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1

MAT-POS-590ac91e-49
0.311

View
COc1ccccc1OCC(CC(C)C)NC(=O)c1cc(=O)[nH]c2ccccc12

DAR-DIA-8e329c92-6
0.309

View
NS(=O)(=O)c1ccc(CCNC(=O)c2cc(=O)[nH]c3ccccc23)c2ccccc12

DAR-DIA-8e329c92-11
0.306

View
O=C1CC(Oc2cc(Cl)cc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1

ALP-POS-3fc1724e-2
0.305

View
O=C1CC(Oc2cc(Cl)cc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1

ERI-UCB-ce40166b-17
0.305

View
COc1c(Cl)cccc1OCCNC(=O)c1cc(=O)[nH]c2ccccc12

ALP-POS-3fc1724e-1
0.303

View
NS(=O)(=O)c1ccc(CCNC(=O)c2cc(=O)[nH]c3ccccc23)c2c1CCCC2

DAR-DIA-8e329c92-12
0.301

View
O=C(NCCOc1cccc2c1CCCC2)c1cc(=O)[nH]c2ccccc12

MAT-UCB-70f7c0f7-1
0.301

View
CN1CCCc2c(S(N)(=O)=O)ccc(CCNC(=O)c3cc(=O)[nH]c4ccccc34)c21

DAR-DIA-8e329c92-13
0.300

View
O=C(NCCOc1cccc2c1OCCC2)c1cc(=O)[nH]c2ccccc12

MAT-UCB-70f7c0f7-2
0.299

View
O=C(NCCOc1cccc(Oc2cccc(=O)[nH]2)c1)c1cc(=O)[nH]c2ccccc12

ERI-UCB-ce40166b-15
0.298

View
O=C1CC(Oc2cccc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1

ERI-UCB-ce40166b-13
0.298

View
O=C(Nc1cccnc1)C(C(=O)c1cc(=O)[nH]c2ccccc12)c1cc(Cl)cc(-c2ccccc2)c1

ALP-POS-ddb41b15-5
0.297

View
O=C1CCC(Oc2cc(Cl)cc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1

ERI-UCB-ce40166b-18
0.296

View
CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(C(=O)c1ccc3ccccc3c1)C2

MAT-POS-ea426761-76
0.296

View
CC(=O)N(C(=O)N1CCN(c2ccccc2)CC1)c1cnccc1C

SEL-UNI-8426c22c-4
0.295

View
O=C1CCC(Oc2cccc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1

ERI-UCB-ce40166b-14
0.295

View
O=C(NCCOc1cccc(Oc2cccnc2)c1)c1cc(=O)[nH]c2ccccc12

ERI-UCB-ce40166b-16
0.295

View
CN(C)c1cncc(CN(C(=O)c2cc(=O)[nH]c3ccccc23)c2cccc(Cl)c2)c1

ALP-POS-ddb41b15-3
0.295

View
O=C(NC(Cc1ccccc1)C(=O)C(=O)N1CCN(c2ccccc2)CC1)C1CCCN1

MAR-SOS-82e3a7c7-2
0.293

View
O=C(NC(Cc1ccccc1)C(=O)C(=O)N1CCN(c2ccccc2)CC1)C1CCCN1

MAR-SOS-c7881798-3
0.293

View
O=C1C(=O)N(Cc2cc(=O)[nH]c3ccccc23)c2ccccc21

DAR-DIA-53551c05-21
0.292

View
C=CC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1

MAK-UNK-6ca90168-2
0.289

View
O=C(CCl)N1CCN(C(=O)c2cccc3ccccc23)CC1

MAK-UNK-6ca90168-1
0.289

View
CCOc1ccccc1OC1CCN(C(=O)c2cc(=O)[nH]c3ccc(F)cc23)C1

MAT-POS-590ac91e-48
0.288

View
O=C(NCCOc1cc(Cl)cc(Oc2cccc(=O)[nH]2)c1)c1cc(=O)[nH]c2ccccc12

ERI-UCB-ce40166b-19
0.287

View
Cc1ccncc1NC(=O)C(C(=O)c1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1

ALP-POS-ddb41b15-1
0.287

View
O=C(NCCOc1cc(Cl)cc(Oc2cccnc2)c1)c1cc(=O)[nH]c2ccccc12

ERI-UCB-ce40166b-20
0.284

View
Cc1ccncc1NC(=O)N(C(=O)c1cc(=O)[nH]c2ccccc12)c1cc(Cl)cc(N(C)C)c1

ALP-POS-ddb41b15-10
0.284

View
CN(C)C(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)N1CCN(c2ccccc2)CC1

MAR-SOS-c7881798-12
0.281

View
CN(C)C(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)N1CCN(c2ccccc2)CC1

MAR-SOS-82e3a7c7-3
0.281

View
COc1ccccc1OC1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Cl)cc23)C1

MAT-POS-590ac91e-54
0.280

View
O=C(Nc1cc(=O)[nH]c2ccccc12)N(CCC1CCCCC1)c1ccccc1

MAT-UCB-70f7c0f7-5
0.277

View
O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ncccc21)N1CCN(c2ccccc2)CC1

MAR-TRE-b77b7921-69
0.277

View
COc1cccc(CCN(C(=O)c2cc(=O)[nH]c3ccccc23)c2cccc(Cl)c2)c1

ALP-POS-ddb41b15-4
0.275

View
Cc1ccncc1NC(=O)N(C(=O)c1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1

ALP-POS-ddb41b15-2
0.275

View
COc1ccc(Cl)cc1N1CCN(Cc2cc(=O)[nH]c3ccccc23)C1=O

JAG-UCB-c37fbdcd-1
0.272

View
O=C(NCc1cc(=O)[nH]c2ccccc12)c1cncnc1

MAR-TRE-92684b97-53
0.264

View
O=C(C1=CC(=O)[NH]C2=CC(F)=CC=C12)N1CCCN(C2=CC=CC=C2)CC1

0.597

View
O=C(C1=CC(=O)[NH]C2=CC=C(F)C=C12)N1CCCN(C2=CC=CC=C2)CC1

0.575

View
O=C(C1=CC(=O)[NH]C2=CC=C([N+](=O)[O-])C=C12)N1CCCN(C2=CC=CC=C2)CC1

0.548

View
O=C(C1=CC(=O)[NH]C2=C1C=CC=C2Br)N1CCCN(C2=CC=CC=C2)CC1

0.530

View
O=C(C1=CC(=O)[NH]C2=CC(F)=CC=C12)N1CCN(C2=CC=NC=C2)CC1

0.519

View
O=C(C1=CC(=O)[NH]C2=CC(F)=CC=C12)N1CCN(C2=CC=C(O)C=C2)CC1

0.500

View
O=C(C1=CC(=O)[NH]C2=CC(F)=CC=C12)N1CCN(C2=CC=C(C(F)(F)F)C=C2)CC1

0.500

View
O=C(C1=CC=C2[NH]C3=CC=CC=C3C(=O)C2=C1)N1CCCN(C2=CC=CC=C2)CC1

0.494

View
O=C(C1=CC(=O)[NH]C2=CC(F)=CC=C12)N1CCN(C2=CC(O)=CC=C2)CC1

0.494

View
CC1=CC=C(N2CCN(C(=O)C3=CC(=O)[NH]C4=CC(F)=CC=C34)CC2)C=C1

0.494

View
O=C(C1=CC(=O)[NH]C2=CC=C(F)C=C12)N1CCN(C2=CC=NC=C2)CC1

0.494

View
O=C(C1=CC(=O)[NH]C2=CC=C(F)C=C12)N1CCN(C2=CC=C(O)C=C2)CC1

0.488

View
NC(=O)C1=CC=C(N2CCN(C(=O)C3=CC(=O)[NH]C4=CC(F)=CC=C34)CC2)C=C1

0.488

View
O=C(C1=C[NH]C2=CC=CC=C2C1=O)N1CCCN(C2=CC=CC=C2)CC1

0.488

View
O=C(C1=CC=CC2=C1[NH]C1=CC=CC=C1C2=O)N1CCCN(C2=CC=CC=C2)CC1

0.483

View
O=C(C1=CC(=O)[NH]C2=CC=C(F)C=C12)N1CCN(C2=CC(O)=CC=C2)CC1

0.482

View
CC1=CC=C(N2CCN(C(=O)C3=CC(=O)[NH]C4=CC=C(F)C=C34)CC2)C=C1

0.482

View
CCC1=CC=C(N2CCN(C(=O)C3=CC(=O)[NH]C4=CC(F)=CC=C34)CC2)C=C1

0.482

View
NC(=O)C1=CC=C(N2CCN(C(=O)C3=CC(=O)[NH]C4=CC=C(F)C=C34)CC2)C=C1

0.476

View
CC1=CC=CC(N2CCN(C(=O)C3=CC(=O)[NH]C4=CC(F)=CC=C34)CC2)=C1

0.476

View
O=C(C1=CC(=O)[NH]C2=CC=C(F)C=C12)N1CCN(C2=CC=C(C(F)(F)F)C=C2)CC1

0.476

View
NS(=O)(=O)C1=CC=C(N2CCN(C(=O)C3=CC(=O)[NH]C4=CC(F)=CC=C34)CC2)C=C1

0.476

View
O=C(C1=CC(=O)[NH]C2=CC(F)=CC=C12)N1CCN(C2=CC(F)=CC(F)=C2)CC1

0.475

View
O=C(C1=CC=CC=C1)N1CCN(C(=O)C2=CC(=O)[NH]C3=CC(F)=CC=C23)CC1

0.475

View
O=C(C1=CC(=O)[NH]C2=CC(F)=CC=C12)N1CCN(C2=CC=CC(Br)=C2)CC1

0.471

View
NS(=O)(=O)C1=CC=C(N2CCN(C(=O)C3=CC(=O)[NH]C4=CC=C(F)C=C34)CC2)C=C1

0.471

View
CCC1=CC=C(N2CCN(C(=O)C3=CC(=O)[NH]C4=CC=C(F)C=C34)CC2)C=C1

0.471

View
O=C(C1=CC(=O)[NH]C2=CC(F)=CC=C12)N1CCN(C2=CC=C([N+](=O)[O-])C=C2)CC1

0.471

View
O=C(C1=CC(=O)[NH]C2=CC(F)=CC=C12)N1CC2CN(C3=CC=CC=C3)CC2C1

0.471

View
O=C(C1=CC(=O)[NH]C2=CC=C([N+](=O)[O-])C=C12)N1CCN(C2=CC=NC=C2)CC1

0.471

View
O=C(C1=CC(=O)[NH]C2=CC(F)=CC=C12)N1CCCN(C2=CC=C(F)C=C2)CC1

0.469

View
CC1=CC=CC(N2CCN(C(=O)C3=CC(=O)[NH]C4=CC=C(F)C=C34)CC2)=C1

0.465

View
O=C(C1=CC=CC2=CC=CC=C12)N1CCN(C(=O)C2=CC(=O)[NH]C3=CC(F)=CC=C23)CC1

0.465

View
O=C(C1=CC(=O)[NH]C2=CC=C([N+](=O)[O-])C=C12)N1CCN(C2=CC=C(O)C=C2)CC1

0.465

View
CN1C(=O)C=C(C(=O)N2CCCN(C3=CC=CC=C3)CC2)C2=CC=CC=C21

0.464

View
O=C(C1=CC(=O)[NH]C2=C1C=CC=C2Br)N1CCN(C2=CC=NC=C2)CC1

0.464

View
O=C(C1=CC(=O)[NH]C2=CC=C(F)C=C12)N1CCN(C2=CC(F)=CC(F)=C2)CC1

0.463

View
O=C(C1=CC2=CC=CC=C2[NH]C1=O)N1CCCN(C2=CC=CC=C2)CC1

0.463

View
O=C(C1=CC(=O)[NH]C2=CC=C([N+](=O)[O-])C=C12)N1CCN(C2=CC(O)=CC=C2)CC1

0.461

View
O=C(C1=CC(=O)[NH]C2=CC=C(F)C=C12)N1CCN(C2=CC=CC(Br)=C2)CC1

0.460

View
COC1=CC=CC(N2CCN(C(=O)C3=CC(=O)[NH]C4=CC(F)=CC=C34)CC2)=C1

0.460

View
O=C(C1=CC(=O)[NH]C2=CC=C(F)C=C12)N1CCN(C2=CC=C([N+](=O)[O-])C=C2)CC1

0.460

View
CC1=CC=C(N2CCN(C(=O)C3=CC(=O)[NH]C4=CC=C([N+](=O)[O-])C=C34)CC2)C=C1

0.460

View
CCOC1=CC=C(N2CCN(C(=O)C3=CC(=O)[NH]C4=CC(F)=CC=C34)CC2)C=C1

0.460

View
O=C(C1=CC(=O)[NH]C2=CC(F)=CC=C12)N1CCCN(C2=CC=NC=C2)CC1

0.459

View
O=C(C1=CC(=O)[NH]C2=CC(F)=CC=C12)N1CCN(C2=CC=CC=C2F)CC1

0.458

View
O=C(C1=CC(=O)[NH]C2=CC=C(F)C=C12)N1CCCN(C2=CC=C(F)C=C2)CC1

0.452

View
O=C(C1=CC(=O)[NH]C2=C(Br)C=CC=C12)N1CCN(C2=CC=C(O)C=C2)CC1

0.452

View
O=C(C1=CC(=O)[NH]C2=CC(F)=CC=C12)N1CCN(C2=CC=CC=C2O)CC1

0.452

View
O=C(C1=C2C=CC=CC2=CC(Br)=C1)N1CCCN(C2=CC=CC=C2)CC1

0.451

View
O=C(C1=C2C=CC=CC2=NC(Cl)=C1)N1CCCN(C2=CC=CC=C2)CC1

0.451

View
COC1=CC=CC(N2CCN(C(=O)C3=CC(=O)[NH]C4=CC=C(F)C=C34)CC2)=C1

0.449

View
CCOC1=CC=C(N2CCN(C(=O)C3=CC(=O)[NH]C4=CC=C(F)C=C34)CC2)C=C1

0.449

View
O=C(C1=CC(=O)[NH]C2=C1CCCC2)N1CCCN(C2=CC=CC=C2)CC1

0.447

View
CC1=CC=C(N2CCN(C(=O)C3=CC(=O)[NH]C4=CC(F)=CC=C34)CC2)C=C1C

0.447

View
O=C(C1=CC(=O)[NH]C2=CC(F)=CC=C12)N1CCN(C2=CC=CC=C2Cl)CC1

0.447

View
O=C(C1=CC(=O)[NH]C2=CC=C(F)C=C12)N1CCN(C2=CN=CC(F)=C2)CC1

0.447

View
O=C(C1=CC(=O)[NH]C2=CC(F)=CC=C12)N1CCN(C2=CC([N+](=O)[O-])=CC=C2)CC1

0.444

View
CC1=CC=CC(N2CCN(C(=O)C3=CC(=O)[NH]C4=CC=C([N+](=O)[O-])C=C34)CC2)=C1

0.444

View
CC1=CC=C(N2CCN(C(=O)C3=CC(=O)[NH]C4=C(Br)C=CC=C34)CC2)C=C1

0.442

View
CC1=CC=CC=C1N1CCN(C(=O)C2=CC(=O)[NH]C3=CC(F)=CC=C23)CC1

0.442

View
O=C(C1=CC(=O)[NH]C2=CC(F)=CC=C12)N1CCN(C2=CC=CC=N2)CC1

0.442

View
O=C(C1=CC=CC=C1)N1CCN(C(=O)C2=CC(=O)[NH]C3=CC=C(F)C=C23)CC1

0.439

View
CC1=CC=C(N2CCN(C(=O)C3=CC(=O)[NH]C4=CC=C(F)C=C34)CC2)C=C1C

0.437

View
O=C(C1=CC(=O)[NH]C2=CC=C(F)C=C12)N1CC2CN(C3=CC=CC=C3)CC2C1

0.437

View
O=C(C1=CC(=O)[NH]C2=CC(F)=CC=C12)N1CCN(C2=CC=CC=C2)C(=O)C1

0.437

View
O=C(C1=CC(=O)[NH]C2=CC=C(F)C=C12)N1CCN(C2=CC=CC=C2F)CC1

0.435

View
O=C(C1=CC(=O)[NH]C2=CC=C(F)C=C12)N1CCN(C2=CC=CC=C2O)CC1

0.435

View
O=C(C1=CC=CC=C1)N1CCCN(C(=O)C2=CC(=O)[NH]C3=CC(F)=CC=C23)CC1

0.435

View
O=C(C1=CC(=O)[NH]C2=CC=C(F)C=C12)N1CCN(C2=CC([N+](=O)[O-])=CC=C2)CC1

0.435

View
O=C(C1=CC=CC=C1F)N1CCN(C(=O)C2=CC(=O)[NH]C3=CC(F)=CC=C23)CC1

0.434

View
O=C(C1=CC=CC2=CC=CC=C12)N1CCN(C(=O)C2=CC(=O)[NH]C3=CC=C(F)C=C23)CC1

0.432

View
O=C(C1=CC(=O)[NH]C2=CC=C(F)C=C12)N1CCCN(C2=CC=NC=C2)CC1

0.432

View
O=C(C1=CC=CC2=CC=CC=C12)N1CCCN(C2=CC=CC=C2)CC1

0.430

View
O=C(C1=CC=CC2=C1C=C[NH]2)N1CCCN(C2=CC=CC=C2)CC1

0.429

View
CCC1=CC=C(N2CCN(C(=O)C3=CC(=O)[NH]C4=C(Br)C=CC=C34)CC2)C=C1

0.427

View
O=C(C1=CC(=O)[NH]C2=CC=C(F)C=C12)N1CCN(C2=CC=CC=C2Cl)CC1

0.425

View
O=C(C1=C(F)C=C(F)C(F)=C1)N1CCCN(C2=CC=CC=C2)CC1

0.423

View
CC1=CC=CC=C1N1CCN(C(=O)C2=CC(=O)[NH]C3=CC=C(F)C=C23)CC1

0.420

View
O=C(C1=CC(=O)[NH]C2=CC=C(F)C=C12)N1CCN(C2=CC=CC=N2)CC1

0.420

View
O=C(C1=CC=CC2=C1[NH]C1=CC=CC=C1C2=O)N1CCN(C2=CC(O)=CC=C2)CC1

0.418

View
O=C(C1=CC(=O)[NH]C2=C(Br)C=CC=C12)N1CCCN(C2=CC=C(F)C=C2)CC1

0.418

View
O=C(C1=C[NH]C2=CC=CC=C2C1=O)N1CCN(C2=CC=C(O)C=C2)CC1

0.417

View
O=C(C1=CC=CC2=C1[NH]C1=CC=CC=C1C2=O)N1CCN(C2=CC=C(O)C=C2)CC1

0.416

View
O=C(C1=CC=CC=C1)N1CCCN(C(=O)C2=CC(=O)[NH]C3=CC=C(F)C=C23)CC1

0.414

View
CC1=CC=C(N2CCN(C(=O)C3=CC=CC4=C3[NH]C3=CC=CC=C3C4=O)CC2)C=C1

0.411

View
CC1=CC=CC(N2CCN(C(=O)C3=CC=CC4=C3[NH]C3=CC=CC=C3C4=O)CC2)=C1

0.402

View
O=C(C1=CC=CC=C1F)N1CCN(C(=O)C2=CC(=O)[NH]C3=CC=C(F)C=C23)CC1

0.400

View
O=C(C1=CC(=O)[NH]C2=CC=C(F)C=C12)N1CCN(C2=CC=CC=C2)C(=O)C1

0.400

View
O=C(C1=CC(=O)[NH]C2=CC(F)=CC=C12)N1CCN(C2=CC=C3C=CC=CC3=N2)CC1

0.400

View
O=C(C1=CC=CC=C1F)N1CCCN(C(=O)C2=CC(=O)[NH]C3=CC(F)=CC=C23)CC1

0.398

View
O=C(C1=CC=CC=C1F)N1CCCN(C2=CC=CC=C2)CC1

0.397

View
CC1=CC=C(N2CCN(C(=O)C3=CC(=O)N(C)C4=CC=CC=C34)CC2)C=C1

0.395

View
CN1C(=O)C=C(C(=O)N2CCN(C3=CC=C(O)C=C3)CC2)C2=CC=CC=C21

0.395

View
O=C(C(=O)N1CCN(C2=CC=CC=C2)CC1)N1CCN(C(=O)C2=CC=CC=C2F)CC1

0.392

View
O=C(C1=CC=CC2=C1[NH]C1=CC=CC=C1C2=O)N1CCN(C2=CC(F)=CC(F)=C2)CC1

0.391

View
O=C(C1=C[NH]C2=CC=CC=C2C1=O)N1CCN(C2=CC(F)=CC(F)=C2)CC1

0.391

View
O=C(C1=CC(=O)[NH]C2=CC=C(F)C=C12)N1CCN(C2=CC=C3C=CC=CC3=N2)CC1

0.381

View
O=C(C1=CC=C(F)C=C1F)N1CCN(C(=O)C2=CC(=O)[NH]C3=CC=C(F)C=C23)CC1

0.381

View
O=C(C1=CC=CC=C1F)N1CCCN(C(=O)C2=CC(=O)[NH]C3=CC=C(F)C=C23)CC1

0.378

View
O=C(N1CCN(CC1)c1ccccc1)c1cc(=O)[nH]c2ccccc12

1.000

View
Fc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.788

View
Clc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.765

View
COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.732

View
[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.722

View
Clc1cccc(c1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.718

View
COc1cccc(c1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.689

View
Clc1ccc(cc1Cl)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.685

View
FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.680

View
Fc1ccccc1N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.653

View
O=C(N1CCN(CC1)c1ccccn1)c1cc(=O)[nH]c2ccccc12

0.635

View
O=C(N1CCN(Cc2ccccc2)CC1)c1cc(=O)[nH]c2ccccc12

0.630

View
Cc1cccc(N2CCN(CC2)C(=O)c2cc(=O)[nH]c3ccccc23)c1C

0.610

View
Cc1ccccc1N1CCCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.595

View
O=C(N1CCN(C\C=C\c2ccccc2)CC1)c1cc(=O)[nH]c2ccccc12

0.575

View
O=C(N1CCN(Cc2cccc3ccccc23)CC1)c1cc(=O)[nH]c2ccccc12

0.549

View
O=C(N1CCNC(=O)C1)c1cc(=O)[nH]c2ccccc12

0.541

View
Clc1ccccc1NC(=O)CN1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12

0.506

View
COc1cccc(c1)N1CCN(CC1=O)C(=O)c1cc(=O)[nH]c2ccccc12

0.489

View
CN1CCN(CC1)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1

0.476

View
Cc1cccc(c1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccc(Br)cc12

0.471

View
Clc1cccc(c1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccc(Br)cc12

0.465

View
Fc1ccc2[nH]c(=O)cc(C(=O)N3CCN(CC3)c3ccccn3)c2c1

0.420

View
Brc1ccc2[nH]c(=O)cc(C(=O)N3CCN(CC3)c3ccccn3)c2c1

0.416

View
CC(=O)NCCNC(=O)c1cc(=O)[nH]c2ccccc12

0.392

View
O=C(NCCN1CCc2ccccc12)c1cc(=O)[nH]c2ccccc12

0.370

View
COc1cccc(c1)N1CCN(CC1)C(=O)c1cc(=O)n(C)c2ccccc12

0.359

View
O=C(NCCN1CCCc2ccccc12)c1cc(=O)[nH]c2ccccc12

0.358

View
CCN(CC(=O)NC(C)C)C(=O)c1cc(=O)[nH]c2ccccc12

0.341

View
Oc1ccc(cc1)N1CCN(CC1)C(=O)c1ccnc2ccccc12

0.337

View
Cc1ccc(cc1)N1CCN(CC1=O)C(=O)c1cc(=O)[nH]c2cc(F)ccc12

0.337

View
COc1ccccc1N1CCN(CC1)C(=O)c1cc(=O)n(C)c2ccccc12

0.333

View
CCN(C(C)C(=O)Nc1ccc(C)cc1)C(=O)c1cc(=O)[nH]c2ccccc12

0.326

View
CCc1ccccc1NC(=O)CNC(=O)c1cc(=O)[nH]c2ccccc12

0.323

View
Cc1cccc(c1)N1CCN(CC1)C(=O)c1ccnc2ccccc12

0.322

View
CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc(=O)[nH]c2ccccc12

0.319

View
Clc1cccc(c1)N1CCN(CC1)C(=O)c1ccnc2ccccc12

0.319

View
CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1

0.316

View
Brc1cccc(c1)N1CCN(CC1)C(=O)c1ccnc2ccccc12

0.315

View
Cc1cnccc1NCCNC(=O)c1cc(=O)[nH]c2ccccc12

0.312

View
Cn1c2ccccc2c(cc1=O)C(=O)N1CCN(CC1)c1ccccn1

0.312

View
Cn1c2ccccc2c(cc1=O)C(=O)N1CCN(Cc2ccccc2)CC1

0.308

View
Cc1ccc(cc1)N1CCN(CC1=O)C(=O)c1cc(=O)[nH]c2ccc(F)cc12

0.306

View
CN(CCNC(=O)c1cc(=O)n(C)c2ccccc12)c1ccccc1

0.176

View
C(N1CCN(C2=CC=CC=C2)CC1)(=O)C1=C2C(NC=C2)=CC=C1

0.481

View
C(N1CCN(C2=CC=CC=C2)CC1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.449

View
C(N1CCN(C2=CC=CC=C2)CC1)(=O)C1C2C(=NC=CC=2)C=CC=1

0.430

View
C(N1CCN(C2=CC=C(F)C=C2)CC1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.360

View
C(N1CCN(C2=CC=C(C)C=C2)CC1)(=O)C1=C2C(NC=C2)=CC=C1

0.345

View
C(N1CCN(C2=CC=C(C=O)C=C2)CC1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.337

View
C(N1CCN(C2=CC=C(C)C=C2)CC1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.333

View
C(N1CCN(C2=CC=C(F)C=C2)CC1)(=O)C1C2C(=NC=CC=2)C=CC=1

0.333

View
C(N1CCN(C2=CC=C(Cl)C=C2)CC1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.330

View
C(N1CCN(C2C=CC=C(C)C=2)CC1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.322

View
C(N1CCN(C2=CC=C(C#N)C=C2)CC1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.319

View
C(N1CCN(C2C=CC=C(Cl)C=2)CC1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.319

View
C(N1CCN(C2=CC=C(OC)C=C2)CC1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.319

View
C(N1CCN(C2=CC=C(OCC)C=C2)CC1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.312

View
C(N1CCN(C2=CC=C(C=O)C=C2)CC1)(=O)C1C2C(=NC=CC=2)C=CC=1

0.311

View
C(N1CCN(C2=CC=C(C)C=C2)CC1)(=O)C1C2C(=NC=CC=2)C=CC=1

0.303

View
C(N1CCN(C2C3C(=CC=CC=3)C=CC=2)CC1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.298

View
C(N1CCN(C2C=CC=C(C)C=2)CC1)(=O)C1C2C(=NC=CC=2)C=CC=1

0.297

View
C(N1CCN(C2=C(C)C=CC=C2)CC1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.272

View
C(N1CCN(C2C(C)=CC=C(C)C=2)CC1)(=O)C1C2C(=CC=CC=2)N=CC=1

0.258

View


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