Molecule Details

Molecular Properties
SMILES:
O=C(CCl)N1CCCC(c2nc3ccccc3s2)C1
MW: 294.807
Fraction sp3: 0.43
HBA: 3
HBD: 0
Rotatable Bonds: 2
TPSA: 33.2
cLogP: 3.2411
Covalent Warhead: ✔️
Covalent Fragment:
Source
Enamine BB: EN300-22970
Enamine SCR: Z147647764
Enamine REAL: Z169511924
Enamine Extended REAL: m_270062____7595742____8147258
Mcule: MCULE-4150942922
MolPort: MolPort-002-470-604
O=C(CCl)N1CCCC(c2nc3ccccc3s2)C1

AAR-POS-d2a4d1df-30
1.000

View
O=C(C(F)Cl)N1CCCC(c2nc3ccccc3s2)C1

JOO-IND-b13e14cc-2
0.657

View
C=CC(=O)N1CCCC(c2nc3ccccc3s2)C1

JOO-IND-b13e14cc-1
0.652

View
O=C(CCl)N1CCC(c2nc3ccccc3s2)CC1

MAK-UNK-7c9d1431-25
0.642

View
O=C(CCl)N1CCC(c2nc3ccccc3s2)CC1

MAR-TRE-6a44bbf2-53
0.642

View
CC#CC(=O)N1CCCC(c2nc3ccccc3s2)C1

JOO-IND-b13e14cc-3
0.625

View
NS(=O)(=O)CCc1cccc2sc(C3CCCN(C(=O)CCl)C3)nc12

SEA-TRI-f744d433-1
0.506

View
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)N3CCCC(c4nc5ccccc5s4)C3)CC2)c1

JAR-IMP-ed466bb3-15
0.489

View
O=C(CCl)N1CCCC(c2nc3ccccc3o2)C1

IND-SYN-6c8299e8-1
0.487

View
C=CC(=O)N1CCC(c2nc3ccccc3s2)CC1

AHN-SAT-02ef6d10-4
0.486

View
NCC1CCc2nc(C3CCCN(C(=O)CCl)C3)sc2C1

HAR-NEW-972ef1cc-2
0.457

View
O=C(CCl)N1Cc2ccccc2C(c2nc3ccccc3s2)C1

IND-SYN-6c8299e8-3
0.452

View
O=C(CCl)N1CC2CC(c3nc4ccccc4s3)C1C2

MAK-UNK-3f402c2b-8
0.450

View
N#CC1CCCC(c2nc3ccccc3s2)C1

JOO-IND-68bcc4bc-1
0.427

View
O=C(CCl)N1CCCC(c2nc(-c3cccnc3)nc3ccccc23)C1

WAR-XCH-bdd24732-16
0.413

View
NS(=O)(=O)c1ccc(N2CCC(c3nc4ccccc4s3)CC2)cc1

WAR-XCH-b72a1bbc-8
0.412

View
C=CC(=O)NCc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1

SAD-SAT-f0a2747f-2
0.394

View
C=CC(=O)N1CCCCC1c1nc2ccccc2s1

AHN-SAT-02ef6d10-1
0.390

View
O=C(CCn1c(C2CCCN(C(=O)CCl)C2)nc2ccccc21)Nc1cccnc1

PAU-UNI-b33c5197-1
0.382

View
C=C(CCn1c(C2CCCN(C(=O)CCl)C2)nc2ccccc21)Nc1cnccc1C

PAU-UNI-b6a619a1-1
0.364

View
CC(=O)N1CC(c2nc3ccccc3s2)CCC1c1ccc(NS(=O)(=O)c2ccc(Cl)s2)nc1

RAM-SYN-2a37ce6c-7
0.362

View
N#Cc1cccc(CCc2ccnc(C3CCCN(C(=O)CCl)C3)c2)c1

WAR-XCH-bdd24732-19
0.358

View
CC(=O)N1CC(c2nc3ccccc3s2)CCC1c1ccc(NS(=O)(=O)c2ccc(Cl)s2)c(F)c1

RAM-SYN-2a37ce6c-6
0.355

View
C[C@H](c1nc2ccccc2s1)N(C)C(=O)CCl

MAR-TRE-6a44bbf2-64
0.351

View
Cn1ccc2cccc(CCc3ccnc(C4CCCN(C(=O)CCl)C4)c3)c21

WAR-XCH-bdd24732-20
0.350

View
O=C(CCl)N1CCCC(n2cc(-c3ccccc3)nn2)C1

STE-KUL-2e0d2e88-4
0.345

View
N#CC1CCCN(C(=O)CCl)C1

MAK-UNK-6c8f5f75-2
0.343

View
C#Cc1ncnc2[nH]c(C3CCCN(C(=O)CCl)C3)nc12

SEL-UNI-49ab05bd-4
0.337

View
NC(=O)C1CCCN(C(=O)CCl)C1

SAD-SAT-65574d3f-6
0.329

View
O=C(Nc1cc(Cl)nc2ccccc12)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-14
0.326

View
NCC1CCc2[nH]c(C3CCCN(C(=O)CCl)C3)cc2C1

HAR-NEW-972ef1cc-1
0.319

View
O=C(CCl)N1CCCC(n2cc(-c3ccc(Cl)cc3)nn2)C1

STE-KUL-2e0d2e88-5
0.311

View
O=C(CCl)N1CC2CCC(C1)N2C(c1ccccc1)c1ccccc1

GIA-UNK-c4371e97-2
0.308

View
CS(=O)(=O)N1CCN(C(=O)CCl)CC1c1ccccc1

DUN-NEW-f8ce3686-22
0.305

View
O=C(CCl)N1CCCC(n2cc(COCc3ccccc3)nn2)C1

STE-KUL-2e0d2e88-6
0.302

View
O=C(CCl)N1CCC(c2nc(-c3cccnc3)nc3ccccc23)CC1

WAR-XCH-b0339bbe-19
0.299

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(Cl)s2)[C@@H](CCc2ccccc2O)C1

SAL-INS-1ea6d4ee-3
0.299

View
O=C(CCl)N1CC[C@H](C(=O)N2CCCCC2)[C@@H](CCc2ccccc2)C1

PAU-WEI-c6d65c11-1
0.293

View
C#Cc1ncnc2c1nc(C1CCCN(C(=O)CCl)C1)n2CC(=O)CN1C=C(N)C=NC1

SEL-UNI-49ab05bd-7
0.289

View
O=C(CCl)N1CCN(C(c2ccccc2)N2CCC(O)CC2)CC1

SEL-UNI-cd366922-5
0.289

View
CC(N)NC(CC(N)=O)C(=O)NC1CCC(c2nc3cc(-c4cccc(S(N)(=O)=O)c4)ccc3s2)CN1C(=O)CCl

DAV-CRI-f9b12666-3
0.287

View
C#Cc1ncnc2c1nc(C1CCCN(C(=O)CCl)C1)n2CC(=O)C(Cc1ccc(O)cc1)NC(C)=O

SEL-UNI-49ab05bd-6
0.286

View
CC(NC(=O)C1CCN(C(=O)CCl)CC1n1os1)(C(=O)O)c1ccccc1

YOI-UNK-a533afbc-4
0.284

View
CC(NC(=O)C1CCN(C(=O)CCl)CC1n1os1)(C(=O)O)c1ccccc1

YOI-UNK-12211982-4
0.284

View
NC(=O)C1CCCN1c1ccccc1N1CCN(C(=O)CCl)CC1

DUN-NEW-f8ce3686-3
0.284

View
O=C(CCl)N1CCC(S(=O)(=O)c2cccs2)CC1

MAK-UNK-987948f6-15
0.284

View
O=C(CCl)N1CCN(Cc2cnc(-c3ccccc3)nc2)CC1

MAK-UNK-af83ef51-1
0.282

View
CC1CN(C(=O)CCl)CCN1Cc1ccc(Br)s1

JOH-UNI-27ac80fd-28
0.282

View
O=C(CCl)N1CCC(C(c2ccccc2)c2ccccc2)CC1

MAK-UNK-6ca90168-11
0.282

View
NC(=O)C1CCN(C(=O)CSc2nc(-c3ccccc3)n(-c3nc4ccccc4s3)n2)CC1

MAT-POS-ea426761-92
0.280

View
CC(N)NC(CC(N)=O)C(=O)NC1CCC(c2nc3cc(Cc4cccc(S(N)(=O)=O)c4)ccc3s2)CN1C(=O)CCl

DAV-CRI-f9b12666-10
0.280

View
O=C(Nc1cc(Cl)nc2ccccc12)C1CC2CC1CN2C(=O)CCl

MAK-UNK-5d2caa6f-13
0.278

View
O=C(CCl)N1CCC(C(=O)N2CCCC2)CC1

MAK-UNK-750cfbcc-3
0.278

View
O=C(CCl)N1CCC(C(=O)N2CCCC2)CC1

MAR-TRE-6a44bbf2-79
0.278

View
C=CC(=O)NCc1ccc(-c2nc3ccccc3s2)o1

AHN-SAT-324b361c-1
0.278

View
O=C(CCl)N1CCC(Oc2ccsc2)NC1

MAK-UNK-212f693e-11
0.277

View
CN(Cc1ccccc1)C1CCCN(C(=O)Cn2nc3ccccc3n2)C1

MAT-POS-ea426761-98
0.277

View
O=C(CCl)N1CCN(C(c2ccccc2)c2ccccc2)CC1

SIM-SYN-f15aaa3a-1
0.276

View
N#CCSc1nc2ccccc2s1

MAR-TRE-1c920f6f-99
0.276

View
CC(C)C[C@@H]1CN(C(=O)CCl)CCN1Cc1ccccc1

SAD-SAT-c989feaa-4
0.276

View
O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.274

View
CC(N)NC(CC(N)=O)C(=O)NC1CCC(c2nc3cc(-c4ccc(S(N)(=O)=O)cc4)ccc3s2)CN1C(=O)CCl

DAV-CRI-f9b12666-1
0.273

View
O=C(CCl)N1CC2CCC(C1)N2C(c1ccccc1)c1cc(Cl)cc(Cl)c1

GIA-UNK-c4371e97-1
0.273

View
O=C(CCl)N1CCC(Oc2ccsc2)CC1

MAK-UNK-212f693e-10
0.272

View
O=C(Nc1ccccc1Oc1ccccn1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-8
0.271

View
O=C(CCl)N1CCN(C(c2ccccc2)C2CCCCC2)CC1

GIA-UNK-20b63697-6
0.271

View
O=C(Nc1ccccc1Br)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-16
0.271

View
O=C(N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-10
0.270

View
O=C(CCl)N1CCN(c2ccccn2)CC1

SAD-SAT-5b1897b2-3
0.269

View
O=C(CCl)N1CCN(Cc2ccc(Br)s2)C(c2ccccc2)C1

SAL-INS-1c7a5a55-11
0.269

View
O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)[C@H](c2ccccc2)C1

JOE-SYG-2c9a1216-1
0.269

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

LON-WEI-120e5cf5-5
0.268

View
CC(N)NC(CC(N)=O)C(=O)NC1CCC(c2nc3cc(Cc4ccc(S(N)(=O)=O)cc4)ccc3s2)CN1C(=O)CCl

DAV-CRI-f9b12666-9
0.268

View
N#CC1CCN(C(=O)CCl)C1

SAD-SAT-edc8a235-7
0.268

View
O=C(Nc1cccnc1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-11
0.267

View
N#Cc1cccc(NC2CCN(C(=O)CCl)C2)c1

TAT-ENA-80bfd3e5-10
0.267

View
O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.267

View
O=C(CCl)N1Cc2ccccc2C(C2CCCS2)C1

MIH-UNI-e573136b-11
0.267

View
CC(N)NC(CC(N)=O)C(=O)NC1CCC(c2nc3cc(-c4ccc(O)c(S(N)(=O)=O)c4)ccc3s2)CN1C(=O)CCl

DAV-CRI-f9b12666-7
0.266

View
CC(N)NC(CC(N)=O)C(=O)NC1CCC(c2nc3cc(-c4ccc(S(N)(=O)=O)c(O)c4)ccc3s2)CN1C(=O)CCl

DAV-CRI-f9b12666-5
0.266

View
NS(=O)(=O)c1ccc2c(c1)N(CCCCC1CCCN(C(=O)CCl)C1)CCC2

PAU-UNI-f4334617-1
0.264

View
O=C(CCl)N1CCCC(N(CC2CCCCC2)C2CCC(O)CC2)C1

WAR-XCH-72a8c209-5
0.264

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](CCc2ccccc2O)C1

SAL-INS-1ea6d4ee-4
0.263

View
O=C(CCl)N1CCC(c2ccc(O)cc2)OC1

NIM-UNI-43fe0159-3
0.263

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-15
0.262

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCl)CC1

AAR-POS-0daf6b7e-6
0.262

View
Cc1nc(C)c(CC(=O)N2CCCC(c3nnc4ccccn34)C2)c(=O)[nH]1

MAR-TRE-c8530538-82
0.262

View
O=C(CCl)N1CCCCCCC1

SAD-SAT-d8079f6f-6
0.262

View
O=C(CCl)N1CCN(C(c2ccccc2)C2CCOCC2)CC1

GIA-UNK-20b63697-2
0.261

View
Cc1nc(N(C)C(=O)C2CCN(C(=O)CCl)CC2)sc1C(=O)O

YOI-UNK-a533afbc-2
0.261

View
O=C(CCl)N1CCN(Cc2scc3ccccc23)CC1

PAU-UNI-b2b6b158-1
0.261

View
Cc1nc(N(C)C(=O)C2CCN(C(=O)CCl)CC2)sc1C(=O)O

YOI-UNK-12211982-2
0.261

View
O=C1CC(C(c2ccccc2)N2CCN(C(=O)CCl)CC2)CCN1

GIA-UNK-20b63697-9
0.261

View
O=C(CCl)N1CCN(Cc2cc(O)ccc2O)CC(c2cc(O)ccc2O)C1

AVI-UNI-70b60925-2
0.260

View
O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC(c2cc(O)ccc2O)C1

AVI-UNI-70b60925-1
0.260

View
O=C(Nc1ccccc1OCC1(c2ccccn2)CCCC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-9
0.260

View
O=C(CCl)N1CCN(C(c2cccc(Cl)c2)c2cccc(Cl)c2)CC1

MED-COV-4280ac29-6
0.259

View
O=C(NC1CCN(C(=O)CCl)CC1)c1ccccc1

AAR-POS-0daf6b7e-5
0.259

View
CC1CN(C(=O)CCl)CCN1C(F)(F)c1ccc(Br)s1

JOH-UNI-27ac80fd-35
0.258

View
Cc1cccnc1NC(=O)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-21
0.258

View
O=C(CCl)N1CCCC(C2=NC3=CC=CC=C3S2)C1

1.000

View
O=C(CO)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.794

View
NCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.794

View
CCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.781

View
CC(C)(C)CC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.773

View
O=C(CC(F)(F)F)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.761

View
O=C(CC1CC1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.758

View
CCCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.758

View
O=C(CCO)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.758

View
CSCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.758

View
NCCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.758

View
COCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.758

View
NOCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.758

View
CC(C)(O)CC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.750

View
CC(F)(F)CC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.750

View
O=C(CC1CCC1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.746

View
CC(C)CC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.746

View
C=C(Cl)CCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.739

View
CN(C)CC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.735

View
N#CCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.735

View
CC(=O)CCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.735

View
CNCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.735

View
C=CCCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.729

View
O=C(CC1CCCC1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.725

View
O=C(CN1CCCC1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.725

View
NC(=O)CCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.725

View
O=C(CSC1CC1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.725

View
C[C@@H](N)CC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.725

View
C[C@H](N)CC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.725

View
CC(N)CC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.725

View
CS(=O)(=O)CC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.725

View
O=C(CC(C1CC1)C1CC1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.725

View
COC(=O)CC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.725

View
CCSCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.725

View
O=C(CCC(F)F)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.725

View
O=C(CC1CC1(Cl)Cl)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.718

View
CCC(CC)CC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.714

View
O=C(CCC1CC1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.714

View
CCCCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.714

View
CSCCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.714

View
NCCCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.714

View
CC(C)CCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.714

View
C=C(C)CCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.714

View
CCOCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.714

View
O=C(CC1=CC=C(Cl)C=C1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.708

View
O=C(CC1=CC=C(Cl)S1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.708

View
O=C(CC1=CC=NC=C1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.708

View
O=C(CC1CCCCC1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.704

View
O=C(CNC1CC1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.704

View
CC(C)(C)OCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.704

View
O=C(CCC1CCC1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.704

View
CN(C)C(=O)CC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.704

View
O=C(CCCCO)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.704

View
O=C(O)COCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.704

View
O=C(CN1C(=O)CCC1=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.704

View
COCCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.704

View
CC(=O)N(C)CC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.704

View
NC(=O)CSCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.704

View
O=C(CSC(F)(F)F)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.704

View
CC1CCC(C)N1CC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.704

View
NC(=O)CCCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.704

View
O=C(CS(=O)(=O)C1CC1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.704

View
CC(=O)NCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.704

View
O=C(COC1=CC=CC=C1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.694

View
O=C(CCCC1CC1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.694

View
O=C1CC(CC(=O)N2CCCC(C3=NC4=CC=CC=C4S3)C2)C1

0.694

View
CCCCCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.694

View
CC(C)N(C)CC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.694

View
O=C(CC1OCCO1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.694

View
CC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.692

View
NC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.692

View
O=C(CC1=CC=CC=C1Cl)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.689

View
O=C(CCC1CC1(Cl)Cl)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.689

View
O=C(CC1=CC=CS1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.685

View
O=C(CCC1CCCC1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.685

View
CN(C)C(=O)CCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.685

View
O=C(COC1CCCC1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.685

View
O=C1CC(CC(=O)N2CCCC(C3=NC4=CC=CC=C4S3)C2)N1

0.685

View
O=C(CC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1)NC1CC1

0.685

View
O=C(CC1=CC=CC=C1CO)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.685

View
O=C(CCCCCO)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.685

View
O=C(CCC1=CC=CC=C1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.676

View
O=C(CSC1=CC=CC=C1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.676

View
O=C(CSCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1)N1CCCCC1

0.676

View
O=C1CCCN1CC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.676

View
O=C(CCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1)N1CCOCC1

0.676

View
O=C(CNC(=O)N1CCCC1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.676

View
O=C(CC1=CC=C(F)C=C1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.676

View
O=C(N1CCC1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.672

View
O=C(COC1=CC=C(Cl)C=C1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.671

View
O=C(CC1=C(F)C=CC=C1F)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.667

View
O=C(CCCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1)C1CC1

0.667

View
O=C(N1CCCC1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.662

View
O=C(C(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1)N1CCC1

0.662

View
O=C1CC(CC(=O)N2CCCC(C3=NC4=CC=CC=C4S3)C2)CC(=O)N1

0.658

View
O=C(CCC(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1)C1=CC=CC=C1

0.658

View
CN(C)C(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.652

View
O=C(C(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1)N1CCCC1

0.652

View
O=C(CCOC1=CC=CC=C1)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.649

View
CCN(C)C(=O)N1CCCC(C2=NC3=CC=CC=C3S2)C1

0.630

View
ClCC(=O)N1CCCC(C1)c1nc2ccccc2s1

1.000

View
O=C(CC1CCCC1)N1CCCC(C1)c1nc2ccccc2s1

0.725

View
O=C(CN1CCN(CC(=O)N2CCCC(C2)c2nc3ccccc3s2)CC1)N1CCCC1

0.704

View
O=C(COc1ccccc1)N1CCCC(C1)c1nc2ccccc2s1

0.694

View
O=C(CCC1CCCC1)N1CCCC(C1)c1nc2ccccc2s1

0.685

View
CCN1CCN(CC(=O)N2CCCC(C2)c2nc3ccccc3s2)CC1

0.685

View
CN(CC(=O)N1CCCC1)CC(=O)N1CCCC(C1)c1nc2ccccc2s1

0.676

View
O=C(CCc1ccccc1)N1CCCC(C1)c1nc2ccccc2s1

0.676

View
O=C(CN1CCCC1=O)N1CCCC(C1)c1nc2ccccc2s1

0.676

View
O=C(CC1CCCO1)N1CCCC(C1)c1nc2ccccc2s1

0.676

View
Clc1ccc(OCC(=O)N2CCCC(C2)c2nc3ccccc3s2)cc1

0.671

View
O=C(CCc1cncnc1)N1CCCC(C1)c1nc2ccccc2s1

0.662

View
O=C(CCn1ccnc1)N1CCCC(C1)c1nc2ccccc2s1

0.662

View
O=C(C1CC1)N1CCCC(C1)c1nc2ccccc2s1

0.662

View
CC(C)(C)OC(=O)NCCC(=O)N1CCCC(C1)c1nc2ccccc2s1

0.658

View
O=C(CCc1ncc[nH]1)N1CCCC(C1)c1nc2ccccc2s1

0.654

View
Cc1nc(CC(=O)N2CCCC(C2)c2nc3ccccc3s2)cs1

0.649

View
CCOc1ccc(OCC(=O)N2CCCC(C2)c2nc3ccccc3s2)cc1

0.649

View
O=C(CN1CCN(CC1)C(=O)C1CC1)N1CCCC(C1)c1nc2ccccc2s1

0.641

View
O=C(CN1CCN(CC(=O)N2CCCC(C2)c2nc3ccccc3s2)CC1)N1CCOCC1

0.641

View
O=C(N1CCCC(C1)c1nc2ccccc2s1)c1ccncc1

0.639

View
O=C(C1CCCC1)N1CCCC(C1)c1nc2ccccc2s1

0.634

View
O=C(CCc1c[nH]cn1)N1CCCC(C1)c1nc2ccccc2s1

0.633

View
Cn1cc(CCC(=O)N2CCCC(C2)c2nc3ccccc3s2)cn1

0.633

View
O=C(N1CCCC(C1)c1nc2ccccc2s1)c1ccccn1

0.630

View
O=C(CN1CCN(CC(=O)N2CCCC(C2)c2nc3ccccc3s2)CC1)NC1CC1

0.625

View
O=C(N1CCCC(C1)c1nc2ccccc2s1)c1ccccc1

0.625

View
O=C(CN1CCC(CC1)C(=O)N1CCCCCC1)N1CCCC(C1)c1nc2ccccc2s1

0.625

View
O=C(CCc1nnc[nH]1)N1CCCC(C1)c1nc2ccccc2s1

0.625

View
CC(=O)NC(CC(=O)N1CCCC(C1)c1nc2ccccc2s1)c1ccccc1

0.625

View
O=C(CCN1C(=O)C2CC=CCC2C1=O)N1CCCC(C1)c1nc2ccccc2s1 |c:9|

0.625

View
O=C(CN1C(=O)CC2(CCCC2)C1=O)N1CCCC(C1)c1nc2ccccc2s1

0.622

View
NC(=O)c1ccccc1CCC(=O)N1CCCC(C1)c1nc2ccccc2s1

0.617

View
Clc1ccc(cc1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.613

View
Clc1ccccc1C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.613

View
Brc1ccc(cc1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.613

View
Clc1ccc(cc1Cl)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.610

View
O=C(N1CCCC(C1)c1nc2ccccc2s1)c1cnccn1

0.610

View
O=C(CCN1CCCCCC1=O)N1CCCC(C1)c1nc2ccccc2s1

0.610

View
CSC(C)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.608

View
O=C(CCNC(=O)c1ccsc1)N1CCCC(C1)c1nc2ccccc2s1

0.607

View
Clc1cc(Cl)cc(c1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.605

View
CCc1ccc(cc1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.597

View
COCCCCNC(=O)N1CCCC(C1)c1nc2ccccc2s1

0.595

View
O=C(CCCNC(=O)c1ccco1)N1CCCC(C1)c1nc2ccccc2s1

0.593

View
CC=CC=CC(=O)N1CCCC(C1)c1nc2ccccc2s1 |w:1.0,3.2|

0.592

View
Cc1ccc(cc1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.592

View
O=C(CN1CCCC(C1)c1nc2ccccc2s1)N1CCCCCC1

0.592

View
Cc1ccccc1C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.592

View
Fc1ccc(cc1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.592

View
Ic1ccc(cc1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.592

View
Clc1cccc(c1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.590

View
CC(=O)N1CC[C@@H](C1)c1nc2ccccc2s1

0.588

View
Cc1cc(C)cc(c1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.584

View
Fc1ccccc1C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.584

View
Brc1ccccc1C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.584

View
Ic1ccccc1C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.584

View
Fc1cc(F)cc(c1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.584

View
Cc1ccc(cc1C)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.582

View
Fc1cc(Cl)ccc1C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.582

View
O=C(CN1CCN(CC=Cc2ccccc2)CC1)N1CCCC(C1)c1nc2ccccc2s1 |w:8.7|

0.581

View
CN1CC(CC1=O)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.577

View
Clc1ccc(C(=O)N2CCCC(C2)c2nc3ccccc3s2)c(Cl)c1

0.575

View
Clc1ccc(Cl)c(c1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.575

View
Clc1cccc(C(=O)N2CCCC(C2)c2nc3ccccc3s2)c1Cl

0.575

View
O=C(N1CCCC(C1)c1nc2ccccc2s1)c1ccc(cc1)C#N

0.570

View
O=C(C=CC(=O)N1CCCC(C1)c1nc2ccccc2s1)N1CCOCC1 |w:2.1|

0.570

View
Cc1ccc(C(=O)N2CCCC(C2)c2nc3ccccc3s2)c(C)c1

0.570

View
Brc1cccc(c1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.570

View
Cc1ccc(C)c(c1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.568

View
Fc1ccc(Cl)cc1C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.568

View
Cc1cccc(c1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.562

View
Cc1cccc(C(=O)N2CCCC(C2)c2nc3ccccc3s2)c1C

0.562

View
Ic1cccc(c1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.562

View
Fc1cccc(c1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.562

View
CSCc1ccc(cc1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.561

View
COCc1ccc(cc1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.561

View
Fc1ccc(C(=O)N2CCCC(C2)c2nc3ccccc3s2)c(Cl)c1

0.561

View
O=C(CN1CCN(CC1)C(=O)CN1CCCC(C1)c1nc2ccccc2s1)N1CCCC1

0.556

View
O=C(N1CCCC(C1)c1nc2ccccc2s1)c1ccc2ccccc2c1

0.556

View
O=C(N1CCCC(C1)c1nc2ccccc2s1)c1ccc(cc1)C(=O)c1ccccc1

0.556

View
O=C(C1CC1)N1CC[C@@H](C1)c1nc2ccccc2s1

0.556

View
CSc1ccccc1C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.556

View
CCNc1ncc(cn1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.548

View
O=C(N1CCCC(C1)c1nc2ccccc2s1)c1cccc(c1)C#N

0.536

View
FC(F)(F)c1cccc(c1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.536

View
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.529

View
CS(=O)(=O)CCN1CCCC(C1)c1nc2ccccc2s1

0.526

View
O=C(C1CCCCC1)N1CC[C@@H](C1)c1nc2ccccc2s1

0.519

View
Clc1ccc(cc1)C(=O)N1CCCC(C1)C(=O)N1CCCC(C1)c1nc2ccccc2s1

0.517

View
Clc1ccc(CNC(=O)CN2CCCC(C2)c2nc3ccccc3s2)cc1

0.506

View
O=C(N1CCCC(C1)c1nc2ccccc2s1)c1cccc(CN2CCCC2=O)c1

0.489

View
CC(N1CC(CC1=O)C(=O)N1CCCC(C1)c1nc2ccccc2s1)c1ccccc1

0.489

View
CC1CCC(CC1)N(C)C(=O)CN1CCCC(C1)c1nc2ccccc2s1

0.488

View
C1CNCC(C1)c1nc2ccccc2s1

0.451

View
Cl.Cl.C1CNCC(C1)c1nc2ccccc2s1

0.444

View
Cl.C1CNCC(C1)c1nc2ccccc2s1

0.444

View
CC(CNC(=O)C1CCCN(C1)C(C)=O)c1nc2ccccc2s1

0.359

View
CC(CNC(=O)C1C2CCCC12)c1nc2ccccc2s1

0.300

View
CC(CNC(=O)CCCCc1nc2ccccc2s1)c1nc2ccccc2s1

0.247

View
C(N1CCC(C2SC3=C(C=CC=C3)N=2)CC1)(=O)CC

0.535

View
C(N1CCC(C2SC3=C(C=CC=C3)N=2)CC1)(=O)CCC

0.527

View
C(N1CCC(C2SC3=C(C=CC=C3)N=2)CC1)(=O)CC(C)C

0.527

View
C(N1CCC(C2SC3=C(C=CC=C3)N=2)CC1)(=O)C

0.522

View
C(N1CCC(C2SC3=C(C=CC=C3)N=2)CC1)(CC1CC1)=O

0.514

View
C(N1CCC(C2SC3=C(C=CC=C3)N=2)CC1)(C(Cl)Cl)=O

0.507

View
C(N1CCC(C2SC3=C(C=CC=C3)N=2)CC1)(=O)CC=C

0.507

View
C(N1CCC(C2SC3=C(C=CC=C3)N=2)CC1)(=O)CC#C

0.507

View
C(N1CCC(C2SC3=C(C=CC=C3)N=2)CC1)(=O)CCC(C)C

0.500

View
C(N1CCC(C2SC3=C(C=CC=C3)N=2)CC1)(=O)CC#N

0.500

View
C(N1CCC(C2SC3=C(C=CC=C3)N=2)CC1)(=O)CC(CC)C

0.500

View
C(N1CCC(C2SC3=C(C=CC=C3)N=2)CC1)(=O)CCC=C

0.500

View
C(N1CCC(C2SC3=C(C=CC=C3)N=2)CC1)(=O)CCCC

0.487

View
C(N1CCC(C2SC3=C(C=CC=C3)N=2)CC1)(=O)C(C)C

0.486

View
C(N1CCC(C2SC3=C(C=CC=C3)N=2)CC1)(=O)CCCCC

0.475

View
C(N1CCC(C2SC3=C(C=CC=C3)N=2)CC1)(=O)CCCC#C

0.463

View
C(N1CCC(C2SC3=C(C=CC=C3)N=2)CC1)(=O)CCCCCC

0.463

View
C(N1CCC(C2SC3=C(C=CC=C3)N=2)CC1)(=O)CCCCCCC

0.458

View
N(C1CCN(C(C)=O)CCC1)CC1(C2SC3=C(C=CC=C3)N=2)CC1

0.352

View
N(C1CCN(C(C)=O)CC1)CC1(C2SC3=C(C=CC=C3)N=2)CC1

0.333

View


Discussion: