Molecule Details

Molecular Properties
SMILES:
CN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1
MW: 258.325
Fraction sp3: 0.43
HBA: 3
HBD: 1
Rotatable Bonds: 2
TPSA: 52.23
cLogP: 0.879399999999999
Covalent Warhead:
Covalent Fragment:
Source
Enamine SCR: Z1400780201
Enamine REAL: Z1400780201
Enamine Extended REAL: s_22____57674____7024784
Mcule: MCULE-7172701013
O=C(Cc1c[nH]c2ncccc12)N1CCS(=O)(=O)CC1

IND-SYN-6c8299e8-5
0.719

View
O=C(Cc1c[nH]c2ncccc12)N1CCS(=O)(=O)CC1

IND-SYN-3aa4e743-1
0.719

View
CNC1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1

NIC-BIO-25446079-4
0.687

View
NC1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1

NIC-BIO-25446079-2
0.682

View
O=C(Cc1c[nH]c2ncccc12)N1CCN2CCC2C1

SAD-SAT-f25ee457-5
0.611

View
CC1CN(C)CCN1C(=O)Cc1c[nH]c2ncccc12

NIC-BIO-29f4a211-1
0.611

View
O=C(Cc1c[nH]c2ncccc12)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

SWA-SYN-6423ea73-4
0.610

View
O=C(Cc1c[nH]c2ncccc12)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

SWA-SYN-d2e6fa14-4
0.610

View
O=C(Cc1c[nH]c2ncccc12)N1CCC(N2CCCS2(=O)=O)CC1

SWA-SYN-6423ea73-10
0.597

View
O=C(Cc1c[nH]c2ncccc12)N1CCC(N2CCCS2(=O)=O)CC1

SWA-SYN-d2e6fa14-9
0.597

View
CN1CCN(C(=O)Cc2c[nH]c3ncncc23)CC1

SID-ELM-1f105489-1
0.594

View
CN1CCN(C(=O)Cc2c[nH]c3ncccc23)C(CO)C1

NIC-BIO-ec630548-1
0.587

View
CCC1CN(C)CCN1C(=O)Cc1c[nH]c2ncccc12

NIC-BIO-29f4a211-2
0.587

View
CN1CCC(NC(=O)Cc2c[nH]c3ncccc23)CC1

NIC-BIO-25446079-3
0.583

View
CN1CCN(C(=O)Cc2c[nH]c3ncccc23)C(C(=O)O)C1

NIC-BIO-ec630548-2
0.579

View
O=C(O)C1CN(C(=O)Cc2c[nH]c3ncccc23)CCO1

MAR-TRE-3159af1a-90
0.579

View
CN1CCN(C(=O)Cc2c[nH]c3ncccc23)C(C(N)=O)C1

NIC-BIO-ec630548-4
0.571

View
CNC(=O)C1CN(C)CCN1C(=O)Cc1c[nH]c2ncccc12

NIC-BIO-ec630548-3
0.564

View
CC1CN(C(=O)Cc2c[nH]c3ncccc23)CC(C(=O)O)O1

MAR-TRE-3159af1a-40
0.558

View
O=C(Nc1ccccc1)Nc1cccnc1N1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1

MAK-UNK-de8f6d00-1
0.558

View
O=C(Nc1cccnc1)Nc1cccc(N2CCN(C(=O)Cc3c[nH]c4ncccc34)CC2)c1

MAK-UNK-de8f6d00-2
0.552

View
CN1CCN(C(=O)Cc2n[nH]c3ncccc23)CC1

IND-SYN-6c8299e8-4
0.549

View
O=C(Nc1ccc(N2CCN(C(=O)Cc3c[nH]c4ncccc34)CC2)cc1)Nc1cccnc1

MAK-UNK-de8f6d00-3
0.547

View
O=C(Nc1ccccc1)Nc1ccc(N2CCN(C(=O)Cc3c[nH]c4ncccc34)CC2)nc1

MAK-UNK-de8f6d00-8
0.547

View
CC(=O)OCC1CN(C)CCN1C(=O)Cc1c[nH]c2ncccc12

NIC-BIO-96ee2ca4-1
0.537

View
O=C(Nc1ccccc1)Nc1cncc(N2CCN(C(=O)Cc3c[nH]c4ncccc34)CC2)c1

MAK-UNK-de8f6d00-7
0.528

View
CN1CCN(C(=O)Nc2c[nH]c3ncccc23)CC1

SID-ELM-1f105489-9
0.528

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

MAK-UNK-10572812-9
0.527

View
CN1CCN(C(=O)Cc2c[nH]c3ncccc23)C(N2CCC(O)CC2)C1

SAD-SAT-f25ee457-10
0.524

View
NS(=O)(=O)c1ccc2c(c1)CN(C(=O)Cc1c[nH]c3ncccc13)CC2

TAM-UNI-c140e31a-5
0.524

View
CN1CCN(C(=O)Cc2c[nH]c3ncccc23)C(Cc2ccccc2)C1

NIC-BIO-f814dd3d-1
0.524

View
O=C(Nc1cccnc1)Nc1ccccc1N1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1

MAK-UNK-de8f6d00-5
0.522

View
CC1C(C(=O)O)CCCN1C(=O)Cc1c[nH]c2ncccc12

MAR-TRE-3159af1a-37
0.519

View
CN1CCN(C(=O)Cc2c[nH]c3ncccc23)c2cc(S(N)(=O)=O)ccc21

ASH-UNK-40b46b30-18
0.518

View
O=C(Nc1ccccc1)Nc1cnccc1N1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1

MAK-UNK-de8f6d00-6
0.516

View
CC(=O)NCCc1c[nH]c2c(N3CCN(C(=O)Cc4c[nH]c5ncccc45)CC3)cc(F)cc12

MAK-UNK-10572812-12
0.516

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

SID-ELM-1f105489-3
0.514

View
CN1CCN(C(=O)Cc2c[nH]c3ncc(CNC(=O)c4ccccc4)cc23)CC1

NIC-UNI-f08e2453-1
0.512

View
CC(=O)NCCc1c[nH]c2ccc(F)c(N3CCN(C(=O)Cc4c[nH]c5ncccc45)CC3)c12

MAK-UNK-10572812-11
0.511

View
CN1CCN(C(=O)Cc2c[nH]c3nccnc23)CC1

SID-ELM-1f105489-2
0.507

View
CN1CCN(C(=O)Cc2c(Cl)[nH]c3ncccc23)CC1

SID-ELM-1f105489-6
0.507

View
NCCNC(=O)C1CCCN(C(=O)Cc2c[nH]c3ncccc23)C1

MAR-TRE-3159af1a-70
0.506

View
NS(=O)(=O)c1ccc2c(c1)CN(C(=O)Cc1c[nH]c3ncccc13)CCC2

TAM-UNI-c140e31a-8
0.506

View
CC(=O)NCCc1c[nH]c2cc(N3CCN(C(=O)Cc4c[nH]c5ncccc45)CC3)c(F)cc12

MAK-UNK-10572812-13
0.505

View
CC(=O)NC(Cc1c[nH]c2ccc(F)cc12)N1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1

MAK-UNK-10572812-2
0.500

View
O=C(Cc1c[nH]c2ncccc12)NC1CCNCC1

NIC-BIO-25446079-1
0.500

View
Cn1ccnc1C1CNCCN1C(=O)Cc1c[nH]c2ncccc12

MAR-TRE-3159af1a-2
0.500

View
CC(=O)NCC(c1c[nH]c2ccc(F)cc12)N1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1

MAK-UNK-10572812-1
0.495

View
CC(=O)NCCc1c(N2CCN(C(=O)Cc3c[nH]c4ncccc34)CC2)[nH]c2ccc(F)cc12

MAK-UNK-10572812-10
0.495

View
NS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1c[nH]c3ncccc13)CCC2

TAM-UNI-c140e31a-4
0.494

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

MAK-UNK-10572812-8
0.490

View
O=C(Cc1c[nH]c2ncccc12)N1CCCC(N2CCNCC2=O)C1

MAR-TRE-3159af1a-16
0.489

View
O=C(O)CC1COCCN1C(=O)Cc1c[nH]c2ncccc12

MAR-TRE-3159af1a-66
0.488

View
CN1CCN(C(=O)Cc2c[nH]c3ncccc23)C(COC(=O)c2ccccc2)C1

NIC-BIO-96ee2ca4-2
0.484

View
NS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1c[nH]c3ncccc13)CCCC2

TAM-UNI-c140e31a-17
0.483

View
CN1CCN(C(=O)C(CO)c2c[nH]c3ncccc23)CC1

NIC-BIO-5044b423-1
0.481

View
CN1CCN(C(=O)C2(c3c[nH]c4ncccc34)CC2)CC1

NIC-BIO-174c9b04-2
0.480

View
CC[N+]1([O-])CCN(C(=O)Cc2c[nH]c3ncccc23)c2cc(S(N)(=O)=O)ccc21

ASH-UNK-40b46b30-14
0.478

View
CN1CCN(C(=O)Cc2c[nH]c3ncc(CNC(=O)NC4CCCCC4)cc23)CC1

NIC-UNI-f08e2453-2
0.477

View
CC(C(=O)N1CCN(C)CC1)c1c[nH]c2ncccc12

NIC-BIO-174c9b04-1
0.474

View
CCC(C(=O)Cc1c[nH]c2ncccc12)C(O)N(C)C

MAK-UNK-b1917cc8-5
0.473

View
CC(CC(=O)O)NC(=O)Cc1c[nH]c2ncccc12

MAR-TRE-3159af1a-9
0.473

View
CCC(CC)(CC(=O)O)NC(=O)Cc1c[nH]c2ncccc12

MAR-TRE-3159af1a-8
0.467

View
NS(=O)(=O)c1ccc2c(c1)CCCCN2C(=O)Cc1c[nH]c2ncccc12

TAM-UNI-c140e31a-18
0.467

View
O=C(Cc1c[nH]c2ncccc12)Nc1cccnc1

KAL-WAB-eb347ebe-1
0.466

View
CN1CCN(C(=O)Cc2c[nH]c3nccc(NC(=O)NC4CCCCC4)c23)CC1

DAR-DIA-03336633-12
0.449

View
N#Cc1ccc(CNC(=O)Cc2c[nH]c3ncccc23)cc1

TRY-UNI-1fd04853-8
0.449

View
COc1cc(NC(=O)Cc2c[nH]c3ncccc23)cc(OC)c1

MAR-TRE-3159af1a-33
0.449

View
O=C(Cc1c[nH]c2ncccc12)Nc1cccc(Cl)c1

DAR-DIA-23aa0b97-12
0.449

View
O=C(Cc1c[nH]c2ncccc12)NCc1ccc(Cl)cc1

TRY-UNI-1fd04853-7
0.447

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

MAK-UNK-10572812-7
0.447

View
CC(=O)OCC(C(=O)N1CCN(C)CC1)c1c[nH]c2ncccc12

NIC-BIO-2722da07-1
0.446

View
CN1CCN(C(=O)C2(c3c[nH]c4ncccc34)CCCCC2)CC1

NIC-BIO-174c9b04-3
0.444

View
N#Cc1ccccc1NC(=O)Cc1c[nH]c2ncccc12

ANT-DIA-3c79be55-1
0.443

View
CC1CN2Cc3ccc(S(N)(=O)=O)c(c32)N1C(=O)Cc1c[nH]c2ncccc12

SAD-SAT-f25ee457-6
0.441

View
O=C(Cc1c[nH]c2ncccc12)NCc1cc(Cl)ccn1

TRY-UNI-1fd04853-9
0.438

View
NC(Cc1c[nH]c2ncccc12)C(=O)O

MAR-UCB-195bc32d-13
0.437

View
CC(C)NC(=O)C1CCN(CCc2c[nH]c3ncccc23)CC1

MAR-TRE-3159af1a-84
0.435

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

MAK-UNK-10572812-16
0.430

View
O=C(Cc1c[nH]c2ncccc12)NCC1(C(=O)O)CCCCC1

MAR-TRE-3159af1a-41
0.427

View
O=C(Cc1c[nH]c2ncccc12)NC1(C(=O)O)CCOC1

MAR-TRE-3159af1a-76
0.427

View
O=C(Cc1c[nH]c2ncccc12)NCc1cccc(Cl)c1

TRY-UNI-1fd04853-5
0.425

View
O=C(Cc1c[nH]c2ncccc12)NCc1ccc(Cl)cn1

TRY-UNI-1fd04853-11
0.425

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

MAK-UNK-10572812-6
0.419

View
NS(=O)(=O)c1ccc2c(c1)N(CCNC(=O)Cc1c[nH]c3ncccc13)CCC2

PET-SGC-fc67af9f-1
0.414

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

MAK-UNK-10572812-14
0.412

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

MAK-UNK-10572812-17
0.410

View
N#Cc1cccc(NC(=O)Cc2c[nH]c3ncccc23)c1

DAR-DIA-23aa0b97-1
0.410

View
N#Cc1ccc(CNC(=O)Cc2c[nH]c3ncccc23)nc1

TRY-UNI-1fd04853-12
0.410

View
N#Cc1cccc(CNC(=O)Cc2c[nH]c3ncccc23)c1

TRY-UNI-1fd04853-6
0.410

View
CS(=O)(=O)NCCC(C(=O)Cc1c[nH]c2ncccc12)C1CCCCC1

ZAC-WAB-2baeb60f-1
0.404

View
CS(=O)(=O)NCCC(C(=O)Cc1c[nH]c2ncccc12)C1CCCCC1

ZAC-WAB-d55a3c2e-1
0.404

View
CN1CCN(C(=O)C(COC(=O)c2ccccc2)c2c[nH]c3ncccc23)CC1

NIC-BIO-2722da07-2
0.402

View
CN1CCN(C(=O)Nc2c(F)[nH]c3ncccc23)CC1

SID-ELM-1f105489-12
0.400

View
N#Cc1ccnc(CNC(=O)Cc2c[nH]c3ncccc23)c1

TRY-UNI-1fd04853-10
0.400

View
CC(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)NCC#CBr

NIC-BIO-3276ca7f-1
0.400

View
N#Cc1cncc(NC(=O)Cc2c[nH]c3ncccc23)c1

DAR-DIA-23aa0b97-2
0.400

View
CN1CCN(C(=O)Nc2c(Cl)[nH]c3ncccc23)CC1

SID-ELM-1f105489-17
0.400

View
O=C(NCc1ccccc1Cl)C1CCN(CCc2c[nH]c3ncccc23)CC1

MAR-TRE-3159af1a-99
0.398

View
O=C(NCc1cccs1)C1CCN(CCc2c[nH]c3ncccc23)CC1

MAR-TRE-3159af1a-75
0.398

View
CN1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

1.000

View
CN1CCN(C(=O)N2CCN(C(=O)CC3=C[NH]C4=NC=CC=C34)CC2)CC1

0.857

View
CN1CCCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.841

View
CC(=O)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.787

View
CCC(=O)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.787

View
CN1CCN(S(=O)(=O)N2CCN(C(=O)CC3=C[NH]C4=NC=CC=C34)CC2)CC1

0.779

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCC1

0.763

View
CCN1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.762

View
O=C(CO)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.758

View
CN1CCN(C(=O)C2CCN(C(=O)CC3=C[NH]C4=NC=CC=C34)CC2)CC1

0.757

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.754

View
CCCN1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.754

View
CCNC(=O)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.754

View
CC(C)(C)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.750

View
CNC(=O)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.750

View
CC(O)C(=O)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.742

View
CN1CCN(C2CCN(C(=O)CC3=C[NH]C4=NC=CC=C34)CC2)CC1

0.739

View
CC(C)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.738

View
CC(C)C(=O)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.738

View
COC(=O)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.738

View
CON1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.738

View
CC(C)(C)C(=O)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.738

View
CC(C)CC(=O)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.738

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCCC1

0.738

View
CN(C)CC(=O)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.727

View
CN1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CCC1=O

0.727

View
CN(C)C(=O)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.727

View
COCC(=O)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.727

View
CS(=O)(=O)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.727

View
CCC(C)(C)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.727

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

0.727

View
CN1CCC2(CC1)CCN(C(=O)CC1=C[NH]C3=NC=CC=C13)CC2

0.721

View
CN1CCN(C2CN(C(=O)CC3=C[NH]C4=NC=CC=C34)C2)CC1

0.721

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCS(=O)(=O)CC1

0.719

View
CCOC(=O)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.716

View
CCN(CC)C(=O)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.716

View
NCCN1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.716

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCCCCC1

0.714

View
CCC(=O)N1CCCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.712

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCN(C2CC2)CC1

0.712

View
CC1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.708

View
CC(C)CN1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.706

View
CCN(CC)CC(=O)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.706

View
CCC(CC)C(=O)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.706

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCCCCCC1

0.703

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCCCCCCC1

0.703

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCNCC1

0.703

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCC(O)CC1

0.703

View
CC(=O)N1CCCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.701

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

0.701

View
CN1CCN(C(=O)CNC(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.700

View
CN1CCN(CC2CCN(C(=O)CC3=C[NH]C4=NC=CC=C34)CC2)CC1

0.699

View
CN1CCN(CC2(C)CCN(C(=O)CC3=C[NH]C4=NC=CC=C34)CC2)CC1

0.699

View
CC1(C)CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.697

View
CCC1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.697

View
CC1(O)CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.697

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCN(CCN2CCCC2)CC1

0.696

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCOCC1

0.692

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCSSCC1

0.692

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCSCC1

0.692

View
O=C1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.692

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCN(C(=O)N2CCCC2)CC1

0.691

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCN(C(=O)C(=O)N2CCCC2)CC1

0.691

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

0.691

View
CC(C)(C)C1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.691

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCN(C(=O)C2CC2)CC1

0.691

View
CN1CCN(C(=O)CN(C)C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.690

View
CN1C=CN=C1N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.690

View
CCC1(CC)CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.687

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

0.686

View
CC1=CC=C(CC(=O)N2CCN(C(=O)CC3=C[NH]C4=NC=CC=C34)CC2)C=C1

0.686

View
CCOC(=O)C(=O)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.686

View
COC(OC)C(=O)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.686

View
NC1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.682

View
C=C1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.682

View
O=C(CC1=CC=CC=C1F)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.681

View
CN1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1=O

0.676

View
CC1CN(C)CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)C1

0.676

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCN(C(=O)N2CCCCC2)CC1

0.671

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

0.671

View
O=C(CC1=CC=CC=C1Cl)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.671

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCN(C(=O)CN2CCCC2)CC1

0.671

View
CN1CCN(CC2CN(C(=O)CC3=C[NH]C4=NC=CC=C34)C2)CC1

0.671

View
CN1CCN(C(=O)CCNC(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.671

View
CN1C=CC=C1C(=O)N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.671

View
CN1CCN(C(=O)CC2=CC=C(NC(=O)CC3=C[NH]C4=NC=CC=C34)C=C2)CC1

0.671

View
NC(=O)N1CCCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.667

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCN(C(=O)N2CCOCC2)CC1

0.662

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

0.662

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

0.662

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCN(C(=O)N2CCNCC2)CC1

0.662

View
CN1CCN(C2CCN(C(=O)CC3=C[NH]C4=NC=CC=C34)C2)CC1

0.653

View
O=C(CC1=C[NH]C2=NC=CC=C12)N1CCN(C(=O)C(=O)N2CCOCC2)CC1

0.653

View
CN1C[C@H]2CN(C(=O)CC3=C[NH]C4=NC=CC=C34)C[C@H]2C1

0.652

View
CC1=CC=CC=C1N1CCN(C(=O)CC2=C[NH]C3=NC=CC=C23)CC1

0.649

View
CN1CCC(C2CCN(C(=O)CC3=C[NH]C4=NC=CC=C34)C2)CC1

0.618

View
CC1CN(C)CCN1C(=O)CC1=C[NH]C2=NC=CC=C12

0.611

View
C[C@H]1CN(C(=O)CC2=C[NH]C3=NC=CC=C23)CCN1C(=O)CC1=C[NH]C2=NC=CC=C12

0.608

View
CC1CN(C(=O)CC2=C[NH]C3=NC=CC=C23)CCN1C(=O)CC1=C[NH]C2=NC=CC=C12

0.608

View
C[C@@H]1CN(C(=O)CC2=C[NH]C3=NC=CC=C23)CCN1C(=O)CC1=C[NH]C2=NC=CC=C12

0.608

View
CN(CCNC(=O)Cc1cn(C)c2ncccc12)C1CCCCC1

0.200

View
CCC(Cc1ccccc1)N(C)C(=O)Cc1c[nH]c2ncccc12

0.199

View
Cc1ccc(CNC(=O)Cc2c[nH]c3ncccc23)cc1

0.198

View
O=C(Cc1c[nH]c2ncccc12)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1

0.197

View
Cc1ccc(C)c(N2CCN(C(=O)Cc3c[nH]c4ncccc34)CC2)c1

0.197

View
CCn1cc(CC(=O)NCCN(C)C)c2cccnc21

0.197

View
O=C(Cc1c[nH]c2ncccc12)N1CC(C(F)(F)F)C1

0.194

View
CCC1CN(c2ccccc2)CCN1C(=O)Cc1c[nH]c2ncccc12

0.193

View
CCn1cc(CC(=O)NCCN2CCN(C)CC2)c2cccnc21

0.191

View
CN1CC2CN(C(=O)Cc3c[nH]c4ncccc34)CCN2C1=O

0.189

View
O=C(Cc1c[nH]c2ncccc12)NCc1ccccc1

0.189

View
CCCN(C)C(=O)Cc1cn(C)c2ncccc12

0.188

View
CCn1cc(CC(=O)N2CCN(C(C)C)CC2)c2cccnc21

0.185

View
CC(C)CC1C(=O)NCCN1C(=O)Cc1c[nH]c2ncccc12

0.181

View
CC(c1ccsc1)N1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1

0.181

View
CN(C)CCN(Cc1cccc(O)c1)C(=O)Cc1c[nH]c2ncccc12

0.178

View
CCN1CCN(C(=O)Cc2cn(CC)c3ncccc23)CC1

0.177

View
CCN(CC)C(=O)Cc1cn(C)c2ncccc12

0.176

View
O=C(Cc1c[nH]c2ncccc12)N1CCNCC1c1ccccc1

0.170

View
CNS(=O)(=O)N1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1

0.166

View
CC1CN(Cc2cccnc2)CCN1C(=O)Cc1c[nH]c2ncccc12

0.165

View
O=C(Cc1c[nH]c2ncccc12)N1CCCC(N2CCNCC2=O)C1

0.165

View
CC(C)CCNC(=O)Cc1c[nH]c2ncccc12

0.162

View
c1cnc2[nH]cc(CCN3CCNCC3)c2c1

0.162

View
CC(C)N1CCOC(CN2CCN(C(=O)Cc3c[nH]c4ncccc34)CC2)C1

0.161

View
O=C(Cc1c[nH]c2ncccc12)N1CCN(C2CC3CCC2C3)CC1

0.157

View
CC(C)C1C(=O)NCCN1C(=O)Cc1c[nH]c2ncccc12

0.157

View
O=C(Cc1c[nH]c2ncccc12)N1CCCCC1

0.154

View
CC(C)CNC(=O)Cc1c[nH]c2ncccc12

0.149

View
CCC(C)NC(=O)Cc1c[nH]c2ncccc12

0.148

View
CC(C)(CN1CCOCC1)NC(=O)Cc1c[nH]c2ncccc12

0.147

View
Cc1ccc(CC(=O)N2CCN(CCc3cn(C)c4ncccc34)CC2)cc1

0.142

View
CC(Cl)C(=O)N1CCN(CCc2c[nH]c3ncccc23)CC1

0.139

View
CNC(=O)Cc1c[nH]c2ncccc12

0.138

View
N#CCNC(=O)Cc1c[nH]c2ncccc12

0.134

View
CN(C)CCNC(=O)Cc1cn(C)c2ncccc12

0.133

View
CCN1CCN(CCNC(=O)Cc2cn(C)c3ncccc23)CC1

0.127

View
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)Cc1c[nH]c2ncccc12

0.126

View
CCCN1CCN(C(=O)Cc2c[nH]c3ncccc23)C(C)(C)C1=O

0.121

View
CC1(C)CN(CC(F)(F)F)CCN1C(=O)Cc1c[nH]c2ncccc12

0.121

View
CC(C)N(CCN(C)C(=O)CC(F)(F)F)C(=O)Cc1c[nH]c2ncccc12

0.117

View
N#CC1CN(C(=O)Cc2c[nH]c3ncccc23)CCN1C1CC1

0.116

View
C#CCN(C)C(=O)Cc1c[nH]c2ncccc12

0.116

View
CCN1CCN(C(=O)Cc2c[nH]c3ncccc23)C(C)(C)C1=O

0.107

View
CN1CCCCC1CN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1

0.107

View
CCCN(C)C(=O)Cc1c[nH]c2ncccc12

0.100

View
CC(C)CN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1=O

0.087

View
CCC(C)NC(=O)CN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1

0.077

View
O=C1CN(C(=O)Cc2c[nH]c3ncccc23)CCN1

0.051

View
C#CCCN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1

0.023

View
C(N1CCN(CC2C3=C(N=CC=C3)NC=2)CC1)(=O)CC1=CC=NC=C1

0.799

View
C(N1CCN(CC2C3=C(N=CC=C3)NC=2)CC1)(=O)CC1=CC=CN=C1

0.792

View
C(N1CCN(CC2C3=C(N=CC=C3)NC=2)CC1)(CC1=CC=CC=C1)=O

0.779

View
C(N1CCN(CC2C3=C(N=CC=C3)NC=2)CC1)(=O)CC1=CC=C(C)C=C1

0.763

View
C(N1CCN(CC2C3=C(N=CC=C3)NC=2)CC1)(=O)CC1=CN=CN=C1

0.757

View


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