Molecule Details

Molecular Properties
SMILES:
O=C(CC1CCCCC1)Nc1cccnc1
MW: 218.3
Fraction sp3: 0.54
HBA: 2
HBD: 1
Rotatable Bonds: 3
TPSA: 41.99
cLogP: 2.9905
Covalent Warhead:
Covalent Fragment:
Source
Enamine SCR: Z31792168
Enamine REAL: Z31792168
Enamine Extended REAL: s_22____57778____59992
Mcule: MCULE-4312991087
Mcule Ultimate: SIURWXONEBYXJD-UHFFFAOYSA-N
MolPort: MolPort-001-995-098
O=C(CC1CCCCC1)Nc1cccnc1

FRA-FAC-9ed5a63a-1
1.000

View
O=C(CC1CCCCC1)Nc1cccnc1

ALE-HEI-f28a35b5-9
1.000

View
C[C@H]1CC[C@H](CC(=O)Nc2cccnc2)CC1

MED-UNK-e6e8ef8a-3
0.679

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O=C(CC1CCC(F)CC1)Nc1cccnc1

FRA-FAC-9ed5a63a-2
0.679

View
O=C(C[C@H]1CC[C@@H](F)CC1)Nc1cccnc1

MED-UNK-e6e8ef8a-2
0.679

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O=C(C[C@H]1CCCC[C@H]1O)Nc1cccnc1

MED-UNK-e6e8ef8a-5
0.603

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C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cccnc1

MED-UNK-e6e8ef8a-4
0.574

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Nc1cncc(NC(=O)CC2CCCCC2)c1

SID-ELM-2583a2cd-16
0.550

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CN(C)c1cncc(NC(=O)CC2CCCCC2)c1

SID-ELM-2583a2cd-15
0.540

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O=C(C[C@@H]1NC(=O)N(C2CCCCC2)C1=O)Nc1cccnc1

MAR-TRE-b77b7921-53
0.536

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O=C(CC1NC(=O)N(C2CCCCC2)C1=O)Nc1cccnc1

KEI-TRE-d5e2018a-77
0.536

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CNc1cncc(NC(=O)CC2CCCCC2)c1

SID-ELM-2583a2cd-19
0.532

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O=C(CC(=O)Nc1cccnc1)Nc1cccnc1

MAR-TRE-67513f76-81
0.529

View
O=C(CC1CCCCC1)Nc1cnccc1CO

CHA-KIN-ceadbd93-2
0.524

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Cc1ccncc1NC(=O)CC1CCCCC1

EDG-MED-0da5ad92-4
0.516

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Cc1ccncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-10
0.516

View
Cc1ccncc1NC(=O)CC1CCCCC1

ALE-HEI-f28a35b5-6
0.516

View
O=C(CCl)Nc1cccnc1

MAK-UNK-ca11b4f7-1
0.509

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O=C(Nc1cccnc1)[C@@H](O)C1CCCCC1

MED-UNK-e6e8ef8a-7
0.500

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O=C(CC1CCC(S(=O)(=O)NCCc2ccccc2)CC1)Nc1cccnc1

MAK-UNK-b2c98f02-9
0.494

View
O=C(Nc1cccnc1)NC1CCCCC1

ALE-HEI-f28a35b5-8
0.492

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O=C(CC1CCCCC1)Nc1cccnc1F

SID-ELM-8b394441-2
0.484

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O=C(CC1CCCCC1)Nc1cccnc1Cl

SID-ELM-8b394441-4
0.484

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O=C(CCCBr)Nc1cccnc1

ALE-HEI-f28a35b5-14
0.483

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C[C@H](C(=O)Nc1cccnc1)C1CCCCC1

MED-UNK-e6e8ef8a-1
0.476

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CC1(CC(=O)Nc2cccnc2)CCCCC1

MED-UNK-e6e8ef8a-6
0.476

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O=C(CC1CCCCC1)Nc1cncn2nccc12

SID-ELM-2583a2cd-4
0.465

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O=C(CC1C[C@@H]2CC[C@@H](C1)N2)NCC(=O)Nc1cccnc1

MAR-TRE-3e4e6814-49
0.458

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O=C(CC1CCCCC1)Nc1cncc2ncccc12

SID-ELM-2583a2cd-21
0.458

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O=C(CC1CCCC(S(=O)(=O)NCCc2ccccc2)C1)Nc1cccnc1

MAK-UNK-b2c98f02-8
0.458

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O=C(CNC(=O)[C@@H]1CCCCN1)Nc1cccnc1

MAR-TRE-3e4e6814-62
0.457

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O=C(C[C@H]1NC(=O)c2ccccc21)Nc1cccnc1

MAR-TRE-74c6519b-54
0.457

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O=C(Cc1ccccc1)Nc1cccnc1

SAN-PRS-52b81272-2
0.450

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O=C(CC1(c2ccccc2)CCCCC1)Nc1cccnc1

CHR-SOS-f7373dd1-1
0.449

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O=C(Nc1cccnc1)N(CCC1CCCCC1)c1cccc(Cl)c1

JOR-UNI-2fc98d0b-12
0.449

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O=C(CC1(c2cccnc2)CCCCC1)Nc1cccnc1

CHR-SOS-f7373dd1-2
0.448

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O=C(CC1CCCCC1)Nc1ccc(S(=O)(=O)NCCc2ccccc2)nc1

MAK-UNK-b2c98f02-3
0.443

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NC(=O)C1CCCN1CC(=O)Nc1cccnc1

NAU-LAT-64f4b287-10
0.443

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N[C@@H]1CC[C@@H](C(=O)NCC(=O)Nc2cccnc2)C1

MAR-TRE-74c6519b-91
0.443

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O=C(Cc1cncnc1)Nc1cccnc1

SAD-SAT-24589cd1-4
0.443

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O=C(CC1(c2ccccc2)CCCC1)Nc1cccnc1

CHR-SOS-f7373dd1-4
0.441

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O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cccnc1

MAR-TRE-3e4e6814-47
0.440

View
O=C(CC1CCCCC1)Nc1cnccc1CNC(=O)NCO

CHA-KIN-ceadbd93-6
0.440

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O=C(CC1(c2cccnc2)CCCC1)Nc1cccnc1

CHR-SOS-f7373dd1-5
0.439

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N[C@@H]1CCC[C@@H]1CC(=O)NCCC(=O)Nc1cccnc1

MAR-TRE-b77b7921-80
0.438

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N[C@H]1CCC[C@H](C(=O)NCC(=O)Nc2cccnc2)C1

MAR-TRE-b77b7921-97
0.438

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O=C(CC[C@H]1CCNC1)NCC(=O)Nc1cccnc1

MAR-TRE-3e4e6814-67
0.437

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O=C(CC1CCCCC1)Nc1cncc2[nH]ccc12

SID-ELM-2583a2cd-1
0.437

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O=C(Cc1ccc(Cl)cc1)Nc1cccnc1

MAK-UNK-a7b37c5e-4
0.435

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O=C(CC1(Oc2ccccc2)CCC1)Nc1cccnc1

CHR-SOS-70e4c98a-8
0.435

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O=C(CC1(Cc2cccnc2)CCCCC1)Nc1cccnc1

CHR-SOS-59746812-6
0.435

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CCNC1CCC(C#N)CC1CC(=O)Nc1cccnc1

SAD-SAT-cefd50cc-6
0.434

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Cc1c(N)cncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-1
0.433

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N#Cc1cccc(N(CCC2CCCCC2)C(=O)Nc2cccnc2)c1

JOR-UNI-61e7b1d5-18
0.432

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Cn1cc(CC(=O)Nc2cccnc2)cn1

DAR-DIA-842b4336-11
0.431

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O=C(CCC1CCNCC1)NCC(=O)Nc1cccnc1

MAR-TRE-b77b7921-74
0.431

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O=C(Cc1ccc(F)cc1)Nc1cccnc1

MAK-UNK-a7b37c5e-5
0.429

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O=C(CC(c1ccccc1)c1ccccc1)Nc1cccnc1

AUS-ARG-7cfdce8f-11
0.429

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O=C(CC1CCCCC1)Nc1cncc(S(=O)(=O)NCCc2ccccc2)c1

MAK-UNK-b2c98f02-4
0.427

View
O=C(CC1CCCCC1S(=O)(=O)NCCc1ccccc1)Nc1cccnc1

MAK-UNK-b2c98f02-7
0.427

View
O=C(CC1CCCCC1)Nc1c(Cl)ncc2ncccc12

SID-ELM-8b394441-20
0.427

View
NC[C@@H]1CCC[C@@H]1C(=O)NCCC(=O)Nc1cccnc1

MAR-TRE-74c6519b-81
0.427

View
O=C(CC1CCCCC1)Nc1c(F)ncc2ncccc12

SID-ELM-b654bfa2-10
0.427

View
O=C(CC1CCCCC1)Nc1c(F)ncc2[nH]cnc12

SID-ELM-b654bfa2-20
0.425

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CS(=O)(=O)NCC(C(=O)Nc1cccnc1)C1CCCCC1

ASH-UNK-40b46b30-13
0.425

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O=C(CN1CCCC[C@@H]1CN1CCC(O)CC1)Nc1cccnc1

BEN-DND-362d364a-11
0.423

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CN(C)c1cnc(Cl)c(NC(=O)CC2CCCCC2)c1

SID-ELM-8b394441-18
0.423

View
O=C(CC1(Cc2ccccc2)CCCCC1)Nc1cccnc1

CHR-SOS-59746812-5
0.423

View
O=C(Cc1ccsc1)Nc1cccnc1

DAR-DIA-842b4336-10
0.422

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O=C(NCC1CCCCC1)c1cccnc1

SAN-PRS-52b81272-1
0.422

View
CC(C)N1CCN(C(=O)CCl)C[C@@H]1CC(=O)Nc1cccnc1

THO-SYG-f9b2970d-2
0.421

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O=C(CC1(Cc2cccnc2)CCCC1)Nc1cccnc1

CHR-SOS-59746812-2
0.420

View
N#Cc1cccc(N(CC2CCCCC2)C(=O)Nc2cccnc2)c1

JOR-UNI-61e7b1d5-20
0.420

View
O=C(CNC(=O)N[C@@H]1CCS(=O)(=O)C1)Nc1cccnc1

MAR-TRE-7f7bb9f0-68
0.419

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O=C(CC[C@H]1CCNC1)NCCC(=O)Nc1cccnc1

MAR-TRE-3e4e6814-59
0.419

View
O=C(CC1CCCCC1)Nc1c(Cl)ncc2[nH]cnc12

SID-ELM-8b394441-24
0.419

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NCC1(CC(=O)NCC(=O)Nc2cccnc2)CCCCC1

MAR-TRE-04c86cea-81
0.417

View
O=C(CC1CCCCC1)Nc1cncc2nccnc12

SID-ELM-2583a2cd-3
0.417

View
O=C(CC1CCCCC1)Nc1cncc2nccn12

SID-ELM-2583a2cd-2
0.417

View
O=C(Cc1cncc(Cl)c1)Nc1cccnc1

DAR-DIA-23aa0b97-16
0.415

View
O=C(Cc1ccccc1Cl)Nc1cccnc1

MAK-UNK-a7b37c5e-1
0.415

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CNc1cnc(F)c(NC(=O)CC2CCCCC2)c1

SID-ELM-b654bfa2-8
0.414

View
O=C1CC(C(=O)Nc2cccnc2)CC(=O)N1

MAR-TRE-2fd8122f-27
0.413

View
Nc1cnc(F)c(NC(=O)CC2CCCCC2)c1

SID-ELM-b654bfa2-21
0.412

View
O=C(CC1CCCCC1)Nc1cncc2[nH]cnc12

SID-ELM-2583a2cd-18
0.411

View
O=C(CC1(Oc2ccccc2)CCCCC1)Nc1cccnc1

CHR-SOS-70e4c98a-1
0.411

View
CC(=O)C(=O)Nc1cccnc1

MAK-UNK-ca11b4f7-3
0.411

View
C=CC(=O)Nc1cccnc1

MAK-UNK-ca11b4f7-2
0.411

View
CC(C)N1CCN(C(=O)CCl)[C@H](CC(=O)Nc2cccnc2)C1

THO-SYG-f9b2970d-1
0.410

View
Cc1ccc(CC(=O)Nc2cccnc2)s1

DAR-DIA-842b4336-12
0.409

View
O=C(Cc1ccc(Cl)s1)Nc1cccnc1

DAR-DIA-842b4336-13
0.409

View
O=C(Cc1cccc(Cl)c1)Nc1cccnc1

EDG-MED-0da5ad92-2
0.409

View
Cc1nnc(CC(=O)Nc2cccnc2)s1

ALE-HEI-f28a35b5-5
0.409

View
CNc1cnc(Cl)c(NC(=O)CC2CCCCC2)c1

SID-ELM-8b394441-17
0.408

View
CN(C)c1cnc(F)c(NC(=O)CC2CCCCC2)c1

SID-ELM-b654bfa2-9
0.408

View
O=C(CC1(Cc2ccccc2)CCCC1)Nc1cccnc1

CHR-SOS-59746812-1
0.408

View
O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)Nc1cccnc1

MAR-TRE-2fd8122f-32
0.408

View
O=C(CCCCC1C2NC(=O)NC2CS1(=O)=O)Nc1cccnc1

MAR-TRE-2fd8122f-20
0.407

View
O=C(CC1(C#CC2CCCCN2)CCCCC1)Nc1cccnc1

CHR-SOS-54d5cf3e-4
0.407

View
Nc1cnc(Cl)c(NC(=O)CC2CCCCC2)c1

SID-ELM-8b394441-16
0.406

View
O=C(CC1CCCCC1)NC1=CC=CN=C1

1.000

View
O=C(CC1CCCCCC1)NC1=CC=CN=C1

0.957

View
O=C(CC1CCCC1)NC1=CC=CN=C1

0.915

View
O=C(CC1CCC1)NC1=CC=CN=C1

0.872

View
O=C(CC1CCCCC1)NCC(=O)NC1=CC=CN=C1

0.724

View
O=C(CC1CCCCC1)NC1=CC=C(C(=O)NC2=CC=CN=C2)C=C1

0.721

View
O=C(CC1CCS(=O)(=O)CC1)NC1=CC=CN=C1

0.696

View
O=C(CC1CCCCCC1)NCC(=O)NC1=CC=CN=C1

0.695

View
N[C@H]1CC[C@@H](CC(=O)NC2=CC=CN=C2)CC1

0.691

View
O=C(CC1CCCCC1)NCCC(=O)NC1=CC=CN=C1

0.689

View
O=C(CC1CCNCC1)NC1=CC=CN=C1

0.679

View
CC1CCC(CC(=O)NC2=CC=CN=C2)CC1

0.679

View
O=C(CC1CCOCC1)NC1=CC=CN=C1

0.679

View
O=C(CC1CCSCC1)NC1=CC=CN=C1

0.679

View
O=C(CNC(=O)CC1CCCCC1)NCC(=O)NC1=CC=CN=C1

0.677

View
O=C(CC1CCCCC1)NC1=CC=C(C(=O)NC2=CC=CN=C2)C(Cl)=C1

0.672

View
CC1(C)CCC(CC(=O)NC2=CC=CN=C2)CC1

0.667

View
O=C(CC1CCC(C(=O)O)CC1)NC1=CC=CN=C1

0.667

View
O=C(CC1CS(=O)(=O)C1)NC1=CC=CN=C1

0.667

View
O=C(CC1CCCC1)NC1=CC=C(C(=O)NC2=CC=CN=C2)C=C1

0.661

View
O=C(CC1CCCCCC1)NCCC(=O)NC1=CC=CN=C1

0.661

View
O=C(CC1CCCC1)NCC(=O)NC1=CC=CN=C1

0.661

View
O=C(CC1CCC(F)(F)CC1)NC1=CC=CN=C1

0.655

View
O=C(CCC1CCCCC1)NC1=CC=CN=C1

0.649

View
O=C(COC(=O)CC1CCCCC1)NC1=CC=CN=C1

0.645

View
O=C(CC1CCCNC1)NC1=CC=CN=C1

0.644

View
O=C(C[C@H]1CCCNC1)NC1=CC=CN=C1

0.644

View
O=C(C[C@@H]1CCCNC1)NC1=CC=CN=C1

0.644

View
COC1CCC(CC(=O)NC2=CC=CN=C2)CC1

0.644

View
O=C1CC(CC(=O)NC2=CC=CN=C2)C1

0.636

View
O=C(CC1CCCCC1)NC1=CC=C(OC2=CC=CN=C2)N=C1

0.636

View
O=C(CC1CCCCC1)NC1=CC=NN=C1

0.636

View
O=C(CC1CCCCC1)NC1=CC=C(OC2=CC=CN=C2)C=C1

0.635

View
O=C(CC1CCCOC1)NC1=CC=CN=C1

0.633

View
O=C(CC1CCCC1)NCCC(=O)NC1=CC=CN=C1

0.629

View
O=C(CC1CCC1)NC1=CC=C(C(=O)NC2=CC=CN=C2)C=C1

0.629

View
O=C(CC1CCC1)NCC(=O)NC1=CC=CN=C1

0.627

View
O=C(CC1CCCCC1)NCCNCCC(=O)NC1=CC=CN=C1

0.627

View
O=C(CC1CCCCC1)NCC(=O)OCC(=O)NC1=CC=CN=C1

0.627

View
O=C(CC1CCCCC1)NCCNC(=O)NC1=CC=CN=C1

0.625

View
CC(NC(=O)CC1CCCCC1)C(=O)NC1=CC=CN=C1

0.625

View
CC1CCCC(CC(=O)NC2=CC=CN=C2)C1

0.623

View
O=C(C[C@@H]1CCNC1)NC1=CC=CN=C1

0.621

View
O=C(C[C@H]1CCNC1)NC1=CC=CN=C1

0.621

View
O=C(COC1=CC=CC=C1NC(=O)CC1CCCCC1)NC1=CC=CN=C1

0.620

View
O=C(CNC(=O)CC1CCCC1)NCC(=O)NC1=CC=CN=C1

0.619

View
O=C(COC(=O)CC1CCCCCC1)NC1=CC=CN=C1

0.619

View
O=C(CNC(=O)CC1CCCCC1)NCCC(=O)NC1=CC=CN=C1

0.618

View
O=C(CC1CCCC1)NC1=CC=C(C(=O)NC2=CC=CN=C2)C(Cl)=C1

0.618

View
O=C(CSCC1CCCCC1)NC1=CC=CN=C1

0.617

View
O=C(CC1CCCCC1)NCCNC(=O)C(=O)NC1=CC=CN=C1

0.615

View
O=C(CC1CCC(C2=CC=CC=C2)CC1)NC1=CC=CN=C1

0.613

View
O=C(CCNCC1CCCCC1)NC1=CC=CN=C1

0.613

View
O=C(CC1CCCCCC1)NC1=CC=C(OC2=CC=CN=C2)N=C1

0.612

View
O=C(CC1CC=CCC1)NC1=CC=CN=C1

0.610

View
O=C(CC1CCOC1)NC1=CC=CN=C1

0.610

View
CC1CCC(CC(=O)NC2=CC=CN=C2)C1

0.610

View
O=C(C[C@H]1CCOC1)NC1=CC=CN=C1

0.610

View
O=C(CC1CCCCCC1)NC1=CC=NN=C1

0.607

View
O=C(CC1CCCC1)NNC(=O)NC1=CC=CN=C1

0.607

View
O=C(CCCC1CCCCC1)NC1=CC=CN=C1

0.607

View
O=C(CC1CCCCC1)NC1=CN=CN=C1

0.600

View
O=C(CC1CCCCC1)NC1=CC=NC=C1

0.600

View
O=C(COC1=CC=CC=C1NC(=O)CC1CCCCCC1)NC1=CC=CN=C1

0.597

View
O=C(CC1CCC1)NCCC(=O)NC1=CC=CN=C1

0.597

View
O=C(CC1CCN(CC(F)F)CC1)NC1=CC=CN=C1

0.594

View
O=C1CC(CC(=O)NC2=CC=CN=C2)CC(=O)N1

0.593

View
O=C(CC1CCCCC1)NC1=CC=CC=C1

0.593

View
O=C(CC1CC2CCC(C1)N2)NC1=CC=CN=C1

0.590

View
O=C(CC1CCCCC1)NC1CCC(C(=O)NC2=CC=CN=C2)CC1

0.588

View
O=C(CN1CCN(C(=O)CC2CCCCC2)CC1)NC1=CC=CN=C1

0.588

View
O=C(CC1CCCC1)NNC(=O)C(=O)NC1=CC=CN=C1

0.587

View
O=C(COC(=O)CC1CCCC1)NC1=CC=CN=C1

0.587

View
O=C(CCC1CCCC1)NC1=CC=CN=C1

0.586

View
O=C1CC(CC(=O)NC2=CC=CN=C2)CCCN1

0.585

View
O=C(CCC1CCC1)NC1=CC=CN=C1

0.579

View
O=C(CC1CCCC1)NC1=CC=C(OC2=CC=CN=C2)C=C1

0.578

View
O=C(CN(CC1CCCCC1)C1CC1)NC1=CC=CN=C1

0.578

View
O=C(CCNCC1CCCCCCC1)NC1=CC=CN=C1

0.578

View
CC1CCCCC1CC(=O)NC1=CC=CN=C1

0.574

View
O=C(CC1CCCC1)NCC(=O)OCC(=O)NC1=CC=CN=C1

0.574

View
O=C(CC1CC1)NC1=CC=C(C(=O)NC2=CC=CN=C2)C=C1

0.571

View
O=C(CC1CCCCCC1)NC1=CC=NC=C1

0.571

View
O=C(CC1CCCCCC1)NC1=CN=CN=C1

0.571

View
O=C(CC1CCCCC1)NCC(=O)NC1=CC=C(C(=O)NC2=CC=CN=C2)C=C1

0.569

View
O=C(COC1=CC=CC=C1NC(=O)CC1CCCC1)NC1=CC=CN=C1

0.569

View
O=C(CC1CC1)NCC(=O)NC1=CC=CN=C1

0.567

View
O=C(CSCC1CCCC1)NC1=CC=CN=C1

0.567

View
O=C(CNC(=O)CC1CCCC1)NCCC(=O)NC1=CC=CN=C1

0.565

View
O=C(CC1CCCCCC1)NC1=CC=CC=C1

0.564

View
O=C(NCC1CCCCC1)NC1=CC=CN=C1

0.557

View
O=C(COC(=O)CC1CCC1)NC1=CC=CN=C1

0.556

View
O=C(CC1CCC1)NC1=CC=CC(C2=CC=CN=C2)=C1

0.554

View
O=C(CCCC1CCCC1)NC1=CC=CN=C1

0.548

View
O=C(COCC1CCCC1)NC1=CC=CN=C1

0.548

View
O=C(NCC1CCCCC1)C(=O)NC1=CC=CN=C1

0.540

View
O=C(CNC(=O)NCC1CCCCCCC1)NC1=CC=CN=C1

0.537

View
O=C(NCC1CCCCCCC1)NC1=CC=CN=C1

0.524

View
O=C(NCC1CCCCCCC1)C(=O)NC1=CC=CN=C1

0.508

View
O=C(NCC1CCCC1)NC1=CC=CN=C1

0.500

View
O=C(CC1CCCCC1)Nc1cccnc1

1.000

View
O=C(CC1CCCC1)Nc1cccnc1

0.915

View
O=C(CCC1CCCCC1)Nc1cccnc1

0.649

View
FC1(F)CC(CC(=O)Nc2cccnc2)C1

0.614

View
O=C(CCC1CCCC1)Nc1cccnc1

0.586

View
O=C(CC1CC2CCC1C2)Nc1cccnc1 |TLB:2:3:6.7:9|

0.548

View
O=C(Nc1cccnc1)C1CCCCC1

0.517

View
Cc1ccncc1NC(=O)CC1CCCCC1

0.516

View
Cc1ncccc1NC(=O)CC1CCCCC1

0.492

View
O=C(CCCCC(=O)Nc1cccnc1)Nc1cccnc1

0.491

View
O=C(CCCC(=O)Nc1cccnc1)Nc1cccnc1

0.491

View
O=C(Nc1cccnc1)C1CCCC1

0.483

View
O=C(Nc1cccnc1)C1CCC1

0.474

View
CC(CC(=O)Nc1cccnc1)C(C)(C)C

0.467

View
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccnc1

0.460

View
OC(=O)C1(CC(=O)Nc2cccnc2)CCCC1

0.460

View
O=C(Nc1cccnc1)C1C2CCCC12

0.459

View
CC(C)CCC(=O)Nc1cccnc1

0.458

View
OC(=O)CC1(CC(=O)Nc2cccnc2)CCCCC1

0.455

View
O=C(Nc1cccnc1)C1CC11CCCCC1

0.446

View
OC(=O)CC1(CC(=O)Nc2cccnc2)CCCC1

0.446

View
CC1(C)C(C(=O)Nc2cccnc2)C1(C)C

0.439

View
CC(C)CC1(CCC1)C(=O)Nc1cccnc1

0.438

View
OC(=O)C1CCCCC1C(=O)Nc1cccnc1

0.438

View
O=C(Nc1cccnc1)C12CC3CC(CC(C3)C1)C2

0.435

View
O=C(Nc1cccnc1)C1CCCC(C1)C(=O)Nc1cccnc1

0.435

View
ONC(=O)CCCCCCC(=O)Nc1cccnc1

0.429

View
Cl.O=C(CCC1CNCC11CCCCC1)Nc1cccnc1

0.416

View
O=C(Nc1cccnc1)C12CCCC1CCC2

0.415

View
O=C(Nc1cccnc1)C1CC11CCCC1

0.415

View
CC(C)(C)C1CCC(CC1)C(=O)Nc1cccnc1

0.409

View
C=CCCCCCCCCC(=O)Nc1cccnc1

0.409

View
BrC12CC3CC(C1)CC(CC(=O)Nc1cccnc1)(C3)C2

0.408

View
Cl.CCCCC1CCC(CC1)C(=O)Nc1cccnc1

0.389

View
O=C(Nc1cccnc1)C1CC2CCC1C2 |THB:1:9:15:13.12|

0.388

View
CCCC(CCC)C(=O)Nc1cccnc1

0.381

View
CC12CC3CC(C)(C1)CC(C3)(C2)C(=O)Nc1cccnc1

0.361

View
CCCCC(CC)C(=O)Nc1cccnc1

0.353

View
CC12CCC(CC1=O)(C(=O)Nc1cccnc1)C2(C)C

0.347

View
Cc1ccncc1NC(=O)CCC1CCCC1

0.297

View
[O-][n+]1cccc(NC(=O)CC2CC3CCC2C3)c1 |TLB:9:10:13.14:16|

0.253

View
CCC1(C)CC1C(=O)N(C)c1cccnc1

0.250

View
CN(C(=O)CC1C2CC3CC(C2)CC1C3)c1cccnc1

0.247

View
[O-]C(=O)CC1(CC(=O)Nc2ccc[nH+]c2)CCCC1

0.205

View
C(NC1=CC=CN=C1)(=O)CC1CCCCC1

1.000

View
C(NC1=CC=CN=C1)(=O)CC1CCC(C)CC1

0.972

View
C(NC1=CC=CN=C1)(=O)CCC1CCCCC1

0.948

View
C(NC1=CC=CN=C1)(=O)CC1CCCC1

0.940

View
C(NC1=CC=CN=C1)(=O)CC1CCC(=O)CC1

0.932

View

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