Molecule Details

O=C(CCl)N1CCCCCCC1
Enamine Mcule MolPort
Molecular Properties
SMILES:
O=C(CCl)N1CCCCCCC1
MW: 189.09
Fraction sp3: 0.89
HBA: 1
HBD: 0
Rotatable Bonds: 1
TPSA: 20.31
cLogP: 2.02
Covalent Warhead: ✔️
Covalent Fragment: ✔️
Source
Enamine BB: EN300-23005
Enamine SCR: Z147647332
Mcule: MCULE-9778356861
MolPort: MolPort-002-470-616
O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1

LON-WEI-8f408cad-3

View

O=C(CCl)N1CCCCCC1

SAD-SAT-d8079f6f-5
0.960

View
O=C(CCl)N1CCCCC1

SAD-SAT-d8079f6f-3
0.885

View
O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.808

View
O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.692

View
O=C(CCl)N1CCN(C(=O)N2CCCCCC2)CC1

MAK-UNK-704ed37c-13
0.611

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

SAD-SAT-1b030f84-9
0.571

View
O=C(CCl)N1CCC(C(=O)N2CCCCCC2)CC1

MAK-UNK-750cfbcc-5
0.550

View
O=C(CCl)N1CCN(C(=O)N2CCCC2)CC1

MAK-UNK-704ed37c-10
0.514

View
O=C(CCl)N1CCC(C(=O)N2CCCCC2)CC1

VIR-GIT-7b3d3065-2
0.512

View
O=C(CCl)N1CCC(C(=O)N2CCCCC2)CC1

AAR-POS-0daf6b7e-9
0.512

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

MAK-UNK-704ed37c-11
0.500

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

MAK-UNK-750cfbcc-1
0.486

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

AAR-POS-0daf6b7e-21
0.471

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

MAK-UNK-750cfbcc-3
0.463

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

MAR-TRE-6a44bbf2-79
0.463

View
O=C(CCl)N1CCS(=O)(=O)CC1

SAD-SAT-bc31ec01-2
0.457

View
O=C(CCl)N1CCOCC1

MAK-UNK-f983951f-21
0.457

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

SAD-SAT-65574d3f-6
0.452

View
O=C(CCl)N1CCCSCC1

SAD-SAT-edc8a235-3
0.450

View
CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.444

View
NS(=O)(=O)CC(=O)N1CCN(C(=O)CCl)CC1

SAD-SAT-1b030f84-8
0.436

View
O=C(CCl)N1CCN(C(=O)C2CC2)CC1

SAD-SAT-5b1897b2-9
0.436

View
O=C(CCl)NCC(=O)N1CCCC1

SAD-SAT-65574d3f-7
0.425

View
C#CCN1CCN(C(=O)CCl)CC1

TOB-UNK-c2aba166-1
0.425

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

MAK-UNK-987948f6-5
0.421

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

MAK-UNK-6ca90168-16
0.421

View
N#CC1CCN(C(=O)CCl)CC1

MAK-UNK-6c8f5f75-1
0.410

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

MAK-UNK-704ed37c-12
0.410

View
N#CC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-17
0.410

View
N#CCC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-18
0.410

View
O=C(CCl)N1CNC1

MAK-UNK-95198336-4
0.406

View
O=C(CCl)N1CSC1

MAK-UNK-95198336-6
0.406

View
O=C(CCl)N1COC1

MAK-UNK-95198336-7
0.406

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

MAK-UNK-750cfbcc-2
0.405

View
CC(C)NC(=O)N1CCN(C(=O)CCl)CC1

VIK-SYN-9a3d118a-1
0.405

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

MAK-UNK-987948f6-4
0.400

View
CC(C)N(C)C(=O)N1CCN(C(=O)CCl)CC1

VIK-SYN-bf9c9ac8-1
0.381

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

VIK-SYN-bf9c9ac8-2
0.381

View
O=C(CCl)N1CCC2(CC1)OCCO2

SAD-SAT-65574d3f-5
0.381

View
CC(C)N(C)C(=O)N1CCN(C(=O)CCl)CC1

YOI-UNK-15f562e8-4
0.381

View
CC1CCCN(C(=O)C2CCN(C(=O)CCl)CC2)C1

MAK-UNK-750cfbcc-4
0.380

View
C[C@H]1CCCN(C(=O)C2CCN(C(=O)CCl)CC2)C1

MAR-TRE-6a44bbf2-66
0.380

View
O=C(CCl)N1CCC(N2CCN(C(=O)CCl)CC2)CC1

WAR-XCH-b0339bbe-18
0.372

View
O=C(CCl)N1CCOC1

SAD-SAT-6b5a89f0-2
0.368

View
O=C(CCl)N1CCSC1

MAK-UNK-4b073b5c-17
0.368

View
O=C(CCl)N1CCC(C(=O)N2CCCO2)CC1

MAK-UNK-704ed37c-2
0.367

View
O=C(C1CC2CC1CN2C(=O)CCl)N1CCCCC1

MAK-UNK-3f402c2b-20
0.365

View
O=C(CCl)N1CCN(C(=O)n2cccc2)CC1

MAK-UNK-52a1ef4b-1
0.364

View
CC(C)(C)NC(=O)CN1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-56
0.362

View
CC(C)N(C)C(=O)C1CCN(C(=O)CCl)CC1

AAR-POS-0daf6b7e-19
0.362

View
CC(C)N(C)C(=O)C1CCN(C(=O)CCl)CC1

VIR-GIT-7b3d3065-3
0.362

View
O=C(CCl)N1C[S+]([O-])C1

MAK-UNK-95198336-11
0.361

View
CC1CCCCN1C(=O)CCl

MAK-UNK-f983951f-27
0.357

View
O=C(CCl)N1CCC(C(=O)N2CCNC2)CC1

MAK-UNK-704ed37c-1
0.354

View
Cc1ccc(C(=O)N2CCN(C(=O)CCl)CC2)cc1

AAR-POS-d2a4d1df-25
0.354

View
Cc1ccc(C(=O)N2CCN(C(=O)CCl)CC2)cc1

AHN-SAT-de2502ba-8
0.354

View
O=C(CCl)N1CCN(CN2CCCOCC2)CC1

JOH-UNI-27ac80fd-4
0.353

View
O=C(CCl)N1CCO1

MAK-UNK-95198336-5
0.353

View
Cc1ccc(CN2CCCN(C(=O)CCl)CC2)cc1

MAK-UNK-7c9d1431-21
0.352

View
NC(=O)C1CCN(C(=O)CCl)CN1

MAK-UNK-704ed37c-14
0.349

View
NC(=O)C1CCN(C(=O)CCl)CO1

MAK-UNK-704ed37c-16
0.349

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

MAK-UNK-6c8f5f75-2
0.348

View
O=C(CCl)N1CCC(C(=O)N2CCOC2)CC1

MAK-UNK-704ed37c-3
0.347

View
O=C(CCl)N1CCC(C(=O)N2CCNO2)CC1

MAK-UNK-704ed37c-5
0.347

View
O=C(CCl)N1CCC(C(=O)N2CCSC2)CC1

MAK-UNK-704ed37c-4
0.347

View
CC1(C)CN(C(=O)C2CCN(C(=O)CCl)CC2)CC1N

YOI-UNK-15f562e8-2
0.346

View
O=C(CCl)N1CNO1

MAK-UNK-95198336-8
0.343

View
O=C(CCl)N1CCN(Cc2ccccc2)CC1

MAK-UNK-7c9d1431-24
0.340

View
O=C(CCl)N1CCN(c2ncccn2)CC1

VIK-SYN-9a3d118a-4
0.340

View
O=C(CCl)N1CCN(c2ncccn2)CC1

VIK-SYN-bf9c9ac8-7
0.340

View
O=C(CCl)N1CCN(c2ncccn2)CC1

MAR-TRE-6a44bbf2-87
0.340

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

MAK-UNK-987948f6-2
0.340

View
O=C(CCl)N1CCC(C(=O)N2CNOC2)CC1

MAK-UNK-704ed37c-7
0.340

View
CCCN(CC)C(=O)C1CCN(C(=O)CCl)CC1

YOI-UNK-15f562e8-5
0.340

View
Cc1ccccc1CC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-10
0.340

View
NC(=O)C1CCN(C(=O)CCl)CS1

MAK-UNK-704ed37c-17
0.333

View
O=C(CCl)N1CCC(C(=O)N2CNCO2)CC1

MAK-UNK-704ed37c-6
0.333

View
O=C(CCl)N1CCN(Cc2ccc(Cl)cc2)CC1

MAK-UNK-7c9d1431-29
0.333

View
O=C(CCl)N1CCN(C2CCS(=O)(=O)C2)CC1

SAD-SAT-5b1897b2-6
0.333

View
O=C(CCl)N1CCCO1

MAK-UNK-4b073b5c-19
0.333

View
N#Cc1ccc(CN2CCN(C(=O)CCl)CC2)cc1

MAK-UNK-6ca90168-14
0.333

View
O=C(CCl)N1CCCN(C(=O)c2c(F)cccc2F)CC1

BEN-DND-76ad4ac9-8
0.333

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

DUN-NEW-f8ce3686-3
0.328

View
O=C(CCl)N1CCN(C2(c3ccccc3)CCCCC2)CC1

WAR-XCH-79d12f6e-7
0.327

View
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

AAR-POS-d2a4d1df-27
0.327

View
O=C(CCl)N1CCC(C(=O)N2CONO2)CC1

MAK-UNK-704ed37c-8
0.327

View
O=C(CCl)N1CCC(C(=O)N2CSCO2)CC1

MAK-UNK-704ed37c-9
0.327

View
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

MAR-TRE-6a44bbf2-68
0.327

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccsc2)CC1

MAT-POS-ee51dedd-2
0.327

View
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

MAR-LAB-efb042c5-5
0.327

View
O=C(CCl)N1CCN(C(=O)N2C=CSC2)CC1

MAK-UNK-52a1ef4b-2
0.327

View
O=C(CCl)N1CCN(C(=O)c2ccco2)CC1

AAR-POS-d2a4d1df-29
0.327

View
O=C(CCl)N1CCN(C(=O)N2C=COC2)CC1

MAK-UNK-52a1ef4b-3
0.327

View
O=C(CCl)N1CCN(Cc2cc(Cl)cc(Cl)c2)CC1

PAU-UNI-8cdd41c7-1
0.327

View
O=C(CCl)N1CCN(C(=O)c2ccco2)CC1

MAR-TRE-6a44bbf2-61
0.327

View
O=C(CCl)N1CCN(C(=O)c2ccsc2)CC1

MAK-UNK-6ca90168-20
0.327

View
O=C(CCl)N1CCN(C(=O)c2cocn2)CC1

SAD-SAT-3a925b8b-4
0.327

View
O=C(CCl)N1CCN(C(=O)c2ccoc2)CC1

SAD-SAT-3a925b8b-5
0.327

View
CNC(=O)NS(=O)(=O)N1CCN(C(=O)CCl)CC1

SWA-SYN-6423ea73-5
0.327

View
CNC(=O)NS(=O)(=O)N1CCN(C(=O)CCl)CC1

SWA-SYN-d2e6fa14-5
0.327

View
O=C(CCl)N1CCCCCCCC1

1.000

View
O=C(CCl)N1CCN(C(=O)N2CCCCC2)CC1

0.826

View
O=C(CCl)N1CCN(C(=O)N2CCCC2)CC1

0.783

View
O=C(CCl)N1CCN(C(=O)C(=O)N2CCCC2)CC1

0.783

View
O=C(CCl)N1CCN(CC(=O)N2CCCCCC2)CC1

0.731

View
O=C(CCl)N1CCN(CC(=O)N2CCCCC2)CC1

0.731

View
O=C(CCl)N1CCN(CC(=O)N2CCCC2)CC1

0.692

View
O=C(CCl)N1CCC(N2CCCCC2)CC1

0.667

View
O=C(CCl)N1CCN(CCN2CCCC2)CC1

0.654

View
CC(=O)N1CCCN(C(=O)CCl)CC1

0.654

View
CCC(=O)N1CCCN(C(=O)CCl)CC1

0.654

View
NC(=O)N1CCCN(C(=O)CCl)CC1

0.654

View
O=C(CCl)N1CCN(C(=O)CN2CCCC2)CC1

0.654

View
O=C(CCl)N1CCCN(CC(=O)N2CCCC2)CC1

0.643

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

0.643

View
O=C(CCl)N1CCCCC2(CCCCC2)C1

0.643

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

0.630

View
O=C(CCl)N1CCC(CN2CCCCCC2)CC1

0.621

View
O=C(CCl)N1CCCC(N2CCCC2)CC1

0.621

View
CC1(N2CCCCC2)CCN(C(=O)CCl)CC1

0.621

View
O=C(CCl)NCC(=O)N1CCCCC1

0.607

View
O=C(CCl)N1CCCS(=O)(=O)CC1

0.607

View
O=C(CCl)N1CCCC2(CC1)CC2

0.607

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

0.600

View
O=C(CCl)N1CCN(CC2CCCCC2)CC1

0.600

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

0.600

View
O=C(CCl)N1CCCN(CC2CCCCC2)CC1

0.594

View
O=C(CCl)N1CCC(C2CCCC2)CC1

0.593

View
O=CN1CCCN(C(=O)CCl)CC1

0.586

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

0.586

View
CCN1CCCN(C(=O)CCl)CC1

0.586

View
CC(C)C(=O)N1CCCN(C(=O)CCl)CC1

0.586

View
CC(C)(C)N1CCCN(C(=O)CCl)CC1

0.586

View
O=C(CCl)N1CCC(OC2CCCCC2)CC1

0.586

View
COC(=O)N1CCCN(C(=O)CCl)CC1

0.586

View
O=C(CCl)N1CCN(C(=O)CC2CCCCC2)CC1

0.586

View
O=C(CCl)N1CCCC2(CCCCC2)C1

0.586

View
O=C(CCl)N1CCCC(O)CC1

0.586

View
O=C(CCl)N1CCCC(F)(F)CC1

0.586

View
CC1(C)CCCN(C(=O)CCl)CC1

0.586

View
O=C(CCl)N1CCCC2(CCCCCC2)C1

0.586

View
CC(C)CC(=O)N1CCCN(C(=O)CCl)CC1

0.586

View
O=C(CCCC(=O)N1CCCCCC1)N1CCCCCC1

0.583

View
O=C(CCCCC(=O)N1CCCCCCC1)N1CCCCCCC1

0.583

View
O=C(CCCCC(=O)N1CCCCCCCC1)N1CCCCCCCC1

0.583

View
O=C(CO)N1CCCCCCCC1

0.583

View
O=C(CCCCC(=O)N1CCCCCC1)N1CCCCCC1

0.583

View
O=C(CCCC(=O)N1CCCCCCC1)N1CCCCCCC1

0.583

View
NCC(=O)N1CCCCCCCC1

0.583

View
O=C(CCl)N1CCCC(N2CCCCC2)C1

0.581

View
CC(C(=O)N1CCCC1)N1CCN(C(=O)CCl)CC1

0.581

View
O=C(CCl)N1CCS(=O)(=O)CC1

0.577

View
O=C(CCl)N1CCCC(C2CCCCC2)C1

0.567

View
CC(C)N1CCCN(C(=O)CCl)CC1

0.567

View
O=C(CCl)N1CCCN(C2CC2)CC1

0.567

View
O=C(CCl)NCCC(=O)N1CCCCCC1

0.567

View
O=C(CCl)N1CCC(N2CCCCC2)C1

0.567

View
O=C(CCl)N1CCCN(C(=O)CC2CCCC2)CC1

0.567

View
CCC1CCCN(C(=O)CCl)CC1

0.567

View
CC1(C)CCCCN(C(=O)CCl)C1

0.567

View
NC(=O)C1(N2CCCCC2)CCN(C(=O)CCl)CC1

0.562

View
O=C(CCl)N1CCC(S(=O)(=O)N2CCCCC2)CC1

0.562

View
O=C(CCCCCC(=O)N1CCCCCC1)N1CCCCCC1

0.560

View
O=C(CCCCCCC(=O)N1CCCCCC1)N1CCCCCC1

0.560

View
O=C(CCCCCCCC(=O)N1CCCCCC1)N1CCCCCC1

0.560

View
O=C(CCCCCCCCC(=O)N1CCCCCC1)N1CCCCCC1

0.560

View
O=C(CCCCCCC(=O)N1CCCCCCC1)N1CCCCCCC1

0.560

View
O=C(CSCC(=O)N1CCCCCCC1)N1CCCCCCC1

0.560

View
O=C(COCC(=O)N1CCCCCCC1)N1CCCCCCC1

0.560

View
O=C(CSCC(=O)N1CCCCCC1)N1CCCCCC1

0.560

View
O=C(COCC(=O)N1CCCCCC1)N1CCCCCC1

0.560

View
O=C(CSCC(=O)N1CCCCC1)N1CCCCCC1

0.560

View
O=C(CSCC(=O)N1CCCCC1)N1CCCCCCC1

0.560

View
O=C(CN1CCCC1)N1CCCCCCC1

0.560

View
O=C(CN1CCCC1)N1CCCCCCCC1

0.560

View
O=C(CSCC(=O)N1CCCCC1)N1CCCCCCCC1

0.560

View
O=C(CSCC(=O)N1CCCC1)N1CCCCC1

0.560

View
O=C(CCCCCC(=O)N1CCCCCCC1)N1CCCCCCC1

0.560

View
O=C(CN1CCCCCCC1)N1CCCCCC1

0.560

View
O=C(CN1CCCCCCC1)N1CCCC1

0.560

View
O=C(CN1CCCCCCC1)N1CCCCC1

0.560

View
O=C(CN1CCCCCC1)N1CCCCCC1

0.560

View
O=C(CN1CCCCCC1)N1CCCC1

0.560

View
O=C(CN1CCCCCC1)N1CCCCC1

0.560

View
O=C(CN1CCCC1)N1CCCCCC1

0.560

View
O=C(CN1CCN(CC(=O)N2CCCCCC2)CC1)N1CCCCCC1

0.560

View
O=C(CN1CCN(CC(=O)N2CCCC2)CC1)N1CCCCCC1

0.560

View
O=C(CN1CCN(CC(=O)N2CCCCC2)CC1)N1CCCCCC1

0.560

View
O=C(CN1CCN(CC(=O)N2CCCCC2)CC1)N1CCCCC1

0.560

View
O=C(CN1CCCCCCCC1)N1CCCCC1

0.560

View
O=C(CN1CCCCCCCC1)N1CCCC1

0.560

View
O=C(CN1CCN(CC(=O)N2CCCC2)CC1)N1CCCCC1

0.560

View
CN(C)CC(=O)N1CCN(C(=O)CCl)CC1

0.556

View
O=C(CCl)N1CCN(C2CCCC2)CC1

0.552

View
O=C(CCl)N1CCN(CC2CC2)CC1

0.552

View
O=C(CCl)N1CCC(OC2CCCC2)CC1

0.552

View
O=C(CCl)N1CCN(C2CCC2)CC1

0.552

View
O=C(CCl)N1CCCC2(CCCC2)C1

0.552

View
CS(=O)(=O)N1CCCN(C(=O)CCl)CC1

0.548

View
O=C(CCl)N1CCCN(CC(F)(F)F)CC1

0.548

View
CCC1CCCCN1C(=O)CCl

0.186

View
O=C(CCl)NCCCCCCCCCNC(=O)CCl

0.183

View
CCCCCCCCCCCCNC(=O)CCl

0.183

View
CCCCCCCCCNC(=O)CCl

0.183

View
CCCCCCCCCCCCCCCCNC(=O)CCl

0.183

View
O=C(CCl)N1CCCCC1

0.180

View
CC(Cl)C(=O)N1CCCCCC1

0.179

View
O=C(CCl)N1CCCCCC1

0.115

View
C(N1CCCCCCC1)(=O)C

0.879

View
C(N1CCCCCCC1)(C(Cl)Cl)=O

0.859

View
C(N1CCCCCCC1)(=O)CC

0.829

View
C(N1CCCCCCC1)(=O)CCC

0.810

View
C(N(CCCCCC)CCCCCC)(=O)C

0.804

View

Discussion: