Molecule Details

N#CC1CCN(C(=O)CCl)CC1
Enamine Mcule
Molecular Properties
SMILES:
N#CC1CCN(C(=O)CCl)CC1
MW: 186.06
Fraction sp3: 0.75
HBA: 2
HBD: 0
Rotatable Bonds: 1
TPSA: 44.1
cLogP: 0.99
Covalent Warhead: ✔️
Covalent Fragment: ✔️
Source
Enamine BB: BBV-39905596
Mcule: MCULE-3111386452
O=C(CCl)N1CCOC(c2ccc(F)cc2)C1

AAR-POS-d2a4d1df-33

View

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

SAD-SAT-edc8a235-7
0.615

View
CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.541

View
N#CC1CN(C(=O)CCl)C1

MAK-UNK-95198336-9
0.526

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

MAK-UNK-750cfbcc-1
0.500

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

MAK-UNK-6c8f5f75-2
0.489

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

SAD-SAT-1b030f84-9
0.485

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

MAK-UNK-6ca90168-17
0.463

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

MAK-UNK-6ca90168-18
0.463

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

MAK-UNK-750cfbcc-2
0.455

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

WAR-XCH-b0339bbe-18
0.455

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

MAK-UNK-750cfbcc-3
0.444

View
O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.444

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

MAR-TRE-6a44bbf2-79
0.444

View
O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.441

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

MAK-UNK-750cfbcc-5
0.426

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

VIR-GIT-7b3d3065-2
0.426

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

AAR-POS-0daf6b7e-9
0.426

View
N#CC1CN(C(=O)CCl)CS1

SAD-SAT-6b5a89f0-5
0.422

View
O=C(CCl)N1CCCCC1

SAD-SAT-d8079f6f-3
0.421

View
O=C(CCl)N1CCCCCC1

SAD-SAT-d8079f6f-5
0.421

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

SAD-SAT-5b1897b2-9
0.419

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

MAK-UNK-704ed37c-17
0.413

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

AAR-POS-0daf6b7e-21
0.410

View
O=C(CCl)N1CCCCCCC1

SAD-SAT-d8079f6f-6
0.410

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

TOB-UNK-c2aba166-1
0.409

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

AAR-POS-0daf6b7e-19
0.408

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

VIR-GIT-7b3d3065-3
0.408

View
N#Cc1cccc(CC2CCN(C(=O)CCl)CC2)c1

MAK-UNK-10dfa458-40
0.407

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

MAK-UNK-6ca90168-11
0.404

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

MAK-UNK-704ed37c-1
0.400

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

SAD-SAT-bc31ec01-2
0.400

View
O=C(CCl)N1CCOCC1

MAK-UNK-f983951f-21
0.400

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

MAK-UNK-704ed37c-11
0.400

View
N#CC(c1ccsc1)C1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-22
0.397

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

MAK-UNK-704ed37c-3
0.392

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

MAK-UNK-704ed37c-5
0.392

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

MAK-UNK-704ed37c-4
0.392

View
N#CC1CN(C(=O)CCl)CO1

SAD-SAT-6b5a89f0-4
0.391

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

AAR-POS-0daf6b7e-5
0.389

View
O=C(CCl)N1CNC1

MAK-UNK-95198336-4
0.389

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

MAK-UNK-704ed37c-2
0.385

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

MAK-UNK-704ed37c-7
0.385

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

YOI-UNK-15f562e8-5
0.385

View
CN(c1ccc(C#N)cn1)C1CCN(C(=O)CCl)CC1

VIK-SYN-9a3d118a-8
0.383

View
O=C(Nc1ccccc1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-15
0.382

View
O=C(Nc1ccccc1)C1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-86
0.382

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

MAK-UNK-704ed37c-6
0.377

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

MAK-UNK-6ca90168-14
0.377

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

LON-WEI-120e5cf5-5
0.375

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

MAK-UNK-987948f6-5
0.372

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

MAK-UNK-6ca90168-16
0.372

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

MAK-UNK-750cfbcc-4
0.370

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

MAK-UNK-704ed37c-8
0.370

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

MAK-UNK-704ed37c-9
0.370

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

MAR-TRE-6a44bbf2-66
0.370

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

MAK-UNK-704ed37c-14
0.370

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

MAK-UNK-704ed37c-16
0.370

View
O=C(c1cccc(F)c1)C1CCN(C(=O)CCl)CC1

BEN-DND-76ad4ac9-4
0.368

View
O=C(CCl)N1CCC(Cc2ccsc2)CC1

MAK-UNK-212f693e-32
0.364

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

MAK-UNK-704ed37c-12
0.364

View
N#CC1CN(C(=O)CCl)O1

MAK-UNK-95198336-10
0.364

View
N#C[C@H](c1ccccc1)N1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-92
0.364

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

YOI-UNK-15f562e8-2
0.364

View
Cc1cccc(CC2CCN(C(=O)CCl)CC2)c1

MAK-UNK-af83ef51-6
0.362

View
N#CC1=NCN(C(=O)CCl)C1

SAD-SAT-6b5a89f0-3
0.362

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

MAK-UNK-212f693e-10
0.357

View
O=C(CCl)N1CCSC1

MAK-UNK-4b073b5c-17
0.357

View
O=C(CCl)N1CCC(Nc2ccsc2)CC1

MAK-UNK-212f693e-13
0.357

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

SAD-SAT-1b030f84-8
0.356

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

MAK-UNK-704ed37c-10
0.356

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

MAK-UNK-987948f6-4
0.356

View
N#CC1CN(C(=O)CCl)C1O

ASH-UNK-e28bb067-9
0.356

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

SAD-SAT-5b1897b2-6
0.353

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

MAK-UNK-987948f6-3
0.352

View
O=C(CCl)N1CSC1

MAK-UNK-95198336-6
0.351

View
O=C(CCl)N1COC1

MAK-UNK-95198336-7
0.351

View
O=C(CCl)N1CCC(S(=O)(=O)C2=CC[SH]=C2)CC1

MAK-UNK-d4768348-6
0.351

View
Cc1cc(C)nc(NC2CCN(C(=O)CCl)CC2)n1

GIA-UNK-a79af1bc-1
0.351

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

MAK-UNK-987948f6-15
0.351

View
O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-20
0.351

View
O=C(CCc1ccccc1)NC1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-9
0.350

View
N#Cc1nc(N)ncc1S(=O)(=O)C1CCN(C(=O)CCl)CC1

SAD-SAT-89668ff1-9
0.348

View
O=C(CCl)N1CCC(NC2(C#CC3CCCCC3)CCCCC2)CC1

WAR-XCH-b0339bbe-7
0.344

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

MAK-UNK-704ed37c-13
0.340

View
O=C(CCl)N1CCCSCC1

SAD-SAT-edc8a235-3
0.340

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

VIK-SYN-bf9c9ac8-1
0.340

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

VIK-SYN-bf9c9ac8-2
0.340

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

SAD-SAT-65574d3f-5
0.340

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

YOI-UNK-15f562e8-4
0.340

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

SAD-SAT-89668ff1-8
0.339

View
Cc1cc(Cl)cc(CC2CCN(C(=O)CCl)CC2)c1

NIR-THE-0d6461ce-8
0.339

View
CC(=O)c1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)cc1

LON-WEI-120e5cf5-10
0.339

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

MAR-TRE-6a44bbf2-15
0.339

View
O=C(CCl)N1CCC(S(=O)(=O)c2cccc(F)c2)CC1

BEN-DND-76ad4ac9-7
0.339

View
N#Cc1ccccc1C(=O)C(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-6
0.339

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

AAR-POS-0daf6b7e-6
0.339

View
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)CCl)CC2)cc1

WAR-XCH-79d12f6e-4
0.339

View
CCNc1ncc(C#N)cc1NC1CCN(C(=O)CCl)CC1

NIR-THE-0d6461ce-7
0.338

View
CCNc1ncc(C#N)cc1CC1CCN(C(=O)CCl)CC1

NIR-THE-0d6461ce-6
0.338

View
N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(C(=O)CCl)CC3)CC2)cc1

SAD-SAT-f2e2579e-10
0.338

View
N#CC1CCN(C(=O)CCCCCCCC(=O)N2CCC(C#N)CC2)CC1

0.656

View
N#CC1CCN(C(=O)CCCCCCCCC(=O)N2CCC(C#N)CC2)CC1

0.656

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

0.636

View
C=C(Cl)CCC(=O)N1CCC(C#N)CC1

0.629

View
CCC(CC)CC(=O)N1CCC(C#N)CC1

0.629

View
N#CC1CCN(C(=O)C(=O)N2CCC(C#N)CC2)CC1

0.621

View
N#CC1CCN(C(=O)CC2CCCC2)CC1

0.618

View
CC(=O)CCC(=O)N1CCC(C#N)CC1

0.618

View
N#CC1CCN(C(=O)CCSCCC(=O)N2CCC(C#N)CC2)CC1

0.618

View
N#CC1CCN(C(=O)CC(F)(F)F)CC1

0.618

View
N#CC1CCN(C(=O)Cc2ccc(CC(=O)N3CCC(C#N)CC3)cc2)CC1

0.618

View
N#CC1CCN(C(=O)CC2CCC2)CC1

0.618

View
N#CC1CCN(C(=O)CN2CCCC2)CC1

0.618

View
CC(C)(C)CC(=O)N1CCC(C#N)CC1

0.618

View
CC(CC(=O)N1CCC(C#N)CC1)CC(=O)N1CCC(C#N)CC1

0.618

View
N#CC1CCN(C(=O)CCC2CC2)CC1

0.618

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

0.618

View
N#CC1CCN(C(=O)CC2CC2(Cl)Cl)CC1

0.611

View
CC(C)(C)OCC(=O)N1CCC(C#N)CC1

0.611

View
N#CC1CCN(CC(=O)N2CCN(C(=O)CN3CCC(C#N)CC3)CC2)CC1

0.606

View
N#CC1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1

0.605

View
CCC(C)(C)CC(=O)N1CCC(C#N)CC1

0.600

View
N#CC1CCN(C(=O)CCCC2CC2)CC1

0.600

View
N#CC1CCN(C(=O)CCC(=O)N2CCOCC2)CC1

0.600

View
N#CC1CCN(C(=O)CC2CCCCCC2)CC1

0.600

View
N#CC1CCN(C(=O)CC(C2CC2)C2CC2)CC1

0.600

View
N#CC1CCN(C(=O)CC2CCCCC2)CC1

0.600

View
CC(C)(O)CC(=O)N1CCC(C#N)CC1

0.600

View
N#CCCCC(=O)N1CCC(C#N)CC1

0.600

View
N#CC1CCN(C(=O)CC2C3CC4CC(C3)CC2C4)CC1

0.595

View
CCCC(CCC)CC(=O)N1CCC(C#N)CC1

0.595

View
N#CC1CCN(C(=O)Cc2cc(Cl)cc(Cl)c2)CC1

0.595

View
CC(C)C(CC(=O)N1CCC(C#N)CC1)CC(=O)N1CCC(C#N)CC1

0.583

View
N#CCCCCC(=O)N1CCC(C#N)CC1

0.583

View
C=C(C)CCC(=O)N1CCC(C#N)CC1

0.583

View
N#CC1CCN(C(=O)CCC2CCC2)CC1

0.583

View
N#CC1CCN(C(=O)CCC(F)F)CC1

0.583

View
CC(F)(F)CC(=O)N1CCC(C#N)CC1

0.583

View
N#CC1CCN(C(=O)CC2OCCO2)CC1

0.583

View
N#CC1CCN(C(=O)CC(F)(F)C(F)(F)F)CC1

0.583

View
N#CC1CCN(C(=O)CC2CC(=O)C2)CC1

0.583

View
N#CC1CCN(C(=O)CC2(C#N)CC2)CC1

0.583

View
CCCCCC(=O)N1CCC(C#N)CC1

0.583

View
N#CC1CCN(C(=O)CC2(CC(=O)N3CCC(C#N)CC3)CCCC2)CC1

0.583

View
N#CC1CCN(C(=O)CCC2CCCC2)CC1

0.583

View
COC(=O)CC(=O)N1CCC(C#N)CC1

0.583

View
CSCCC(=O)N1CCC(C#N)CC1

0.583

View
CC(C)(C)SCC(=O)N1CCC(C#N)CC1

0.583

View
CCSCC(=O)N1CCC(C#N)CC1

0.583

View
N#CC1CCN(C(=O)CCC(F)(F)F)CC1

0.583

View
CC(C)SCC(=O)N1CCC(C#N)CC1

0.583

View
N#CCSCC(=O)N1CCC(C#N)CC1

0.583

View
N#CC1CCN(C(=O)CSC(F)(F)F)CC1

0.583

View
CCN(CC)CC(=O)N1CCC(C#N)CC1

0.583

View
CC1CCC(C)N1CC(=O)N1CCC(C#N)CC1

0.583

View
CCS(=O)(=O)CC(=O)N1CCC(C#N)CC1

0.583

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

0.583

View
CC(C)(C)CCC(=O)N1CCC(C#N)CC1

0.583

View
N#CC1CCN(C(=O)CSCC(=O)N2CCCCC2)CC1

0.583

View
CC(C)CCC(=O)N1CCC(C#N)CC1

0.583

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

0.583

View
CC1(CC(=O)N2CCC(C#N)CC2)CC1

0.583

View
CC1CC1CC(=O)N1CCC(C#N)CC1

0.583

View
CN(C)C(=O)CC(=O)N1CCC(C#N)CC1

0.583

View
CC(C)(CCl)C(=O)N1CCC(C#N)CC1

0.583

View
N#CC1CCN(C(=O)CCC2CC2(Cl)Cl)CC1

0.579

View
N#CC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1

0.579

View
N#CC1CCN(C(=O)CC(O)C(Cl)(Cl)Cl)CC1

0.579

View
N#CC1CCN(C(=O)CC2(C(F)(F)F)CC2)CC1

0.579

View
N#CC1CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1

0.575

View
N#CC1CCN(C(=O)COc2ccc(Cl)cc2)CC1

0.575

View
N#CC1CCN(C(=O)C23CC(F)(C2)C3)CC1

0.571

View
CCC(CC)(CC)C(=O)N1CCC(C#N)CC1

0.571

View
N#CC1CCN(CC(=O)N2CCCC2)CC1

0.571

View
N#CC1CCN(CC(=O)N2CCC2)CC1

0.571

View
N#CCCCCCC(=O)N1CCC(C#N)CC1

0.568

View
N#CC1CCN(C(=O)CCC2CCCCCC2)CC1

0.568

View
N#CC1CCN(C(=O)CCCC2CCC2)CC1

0.568

View
CC(C)(CC(=O)N1CCC(C#N)CC1)C1CC1

0.568

View
CC(C)(C)C(=O)CCC(=O)N1CCC(C#N)CC1

0.568

View
N#CC1CCN(C(=O)CCCCCCCCC2CC2)CC1

0.568

View
CNC(=O)CCC(=O)N1CCC(C#N)CC1

0.568

View
CC(=O)CSCC(=O)N1CCC(C#N)CC1

0.568

View
CC(C)(O)CCC(=O)N1CCC(C#N)CC1

0.568

View
N#CC1CCN(C(=O)COC(F)F)CC1

0.568

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

0.568

View
CCC(F)(F)CC(=O)N1CCC(C#N)CC1

0.568

View
CCCCCCCCC(=O)N1CCC(C#N)CC1

0.568

View
CCCCCCCCCCC(=O)N1CCC(C#N)CC1

0.568

View
CCCCCCCC(=O)N1CCC(C#N)CC1

0.568

View
N#CC1CCN(C(=O)CC2(CC(=O)N3CCC(C#N)CC3)CCCCC2)CC1

0.568

View
N#CC1CCN(C(=O)CCC2CCCCC2)CC1

0.568

View
CCCCCCC(=O)N1CCC(C#N)CC1

0.568

View
CCCCCCCCCCCC(=O)N1CCC(C#N)CC1

0.568

View
N#CC1CCN(C(=O)CN2C(=O)CCC2=O)CC1

0.568

View
N#CC1CCN(C(=O)CC2C=CCC2)CC1

0.568

View
CC1CCC(CC(=O)N2CCC(C#N)CC2)CC1

0.568

View
CN(C)C(=O)CCC(=O)N1CCC(C#N)CC1

0.568

View
CC(=O)N(C)CC(=O)N1CCC(C#N)CC1

0.568

View
N#CC1CCN(C(=O)CC2CCOCC2)CC1

0.568

View
O=C(CCl)N1CCCCC1

0.200

View
CC1CCN(C(=O)C(C)Cl)CC1

0.181

View
CC(=O)N1CCC(C#N)CC1

0.169

View
C=CCCC1(C#N)CCN(C(=O)CCl)CC1

0.156

View
CC1CCN(C(=O)CCl)CC1

0.108

View
C(N1CCC(C#N)CC1)(=O)C

0.889

View
C(N1CCC(C#N)CC1)(C(Cl)Cl)=O

0.870

View
C(N1CCC(C#N)CC1)(=O)CC

0.829

View
C(N1CCC(C#N)CC1)(=O)CCC

0.804

View
C(N1CCC(C#N)CC1)(=O)CCCC

0.788

View

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