Molecular Properties | |
SMILES: | C=C(C)C(=O)N1CCN(C(=O)CCl)CC1 |
MW: | 230.08 |
Fraction sp3: | 0.6 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 40.62 |
cLogP: | 0.47 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-987948f6-5
0.667
SAD-SAT-1b030f84-9
0.613
AAR-POS-0daf6b7e-21
0.600
MAK-UNK-6ca90168-16
0.538
MAK-UNK-704ed37c-11
0.500
MAK-UNK-704ed37c-12
0.488
YOI-UNK-15f562e8-4
0.455
VIK-SYN-bf9c9ac8-2
0.455
VIK-SYN-bf9c9ac8-1
0.455
MAK-UNK-6ca90168-18
0.452
MAK-UNK-6ca90168-17
0.452
VIK-SYN-9a3d118a-1
0.444
SAD-SAT-1b030f84-8
0.442
MAK-UNK-704ed37c-10
0.442
SAD-SAT-5b1897b2-9
0.442
MAK-UNK-6ca90168-4
0.434
MAK-UNK-4b073b5c-16
0.432
MAK-UNK-95198336-3
0.429
MAK-UNK-704ed37c-13
0.422
SAD-SAT-d8079f6f-4
0.415
WAR-XCH-b0339bbe-18
0.413
SAD-SAT-d8079f6f-5
0.410
SAD-SAT-d8079f6f-3
0.410
MAK-UNK-52a1ef4b-1
0.404
MAK-UNK-6ca90168-3
0.404
SAD-SAT-d8079f6f-6
0.400
TOB-UNK-c2aba166-1
0.400
SAD-SAT-1b030f84-4
0.396
AAR-POS-d2a4d1df-25
0.392
AHN-SAT-de2502ba-8
0.392
SAD-SAT-3a925b8b-5
0.392
SAD-SAT-65574d3f-5
0.391
SAD-SAT-bc31ec01-2
0.390
MAK-UNK-f983951f-21
0.390
SAD-SAT-89668ff1-8
0.382
MAK-UNK-987948f6-2
0.380
MAK-UNK-6ca90168-5
0.379
MAK-UNK-6ca90168-6
0.379
MAK-UNK-6ca90168-10
0.377
MAK-UNK-95198336-11
0.375
MAR-TRE-6a44bbf2-56
0.373
DRR-IMP-db50bf6e-3
0.373
DRR-IMP-11d47bff-1
0.373
ASH-SAT-43770c7d-10
0.370
MAR-TRE-6a44bbf2-61
0.365
SWA-SYN-6423ea73-5
0.365
MAK-UNK-52a1ef4b-3
0.365
SWA-SYN-d2e6fa14-5
0.365
AAR-POS-d2a4d1df-29
0.365
DRR-IMP-db50bf6e-1
0.365
MAK-UNK-52a1ef4b-2
0.365
MAK-UNK-6ca90168-20
0.365
SAD-SAT-3a925b8b-4
0.365
SAD-SAT-3a925b8b-9
0.364
JOH-UNI-27ac80fd-25
0.358
AAR-POS-0daf6b7e-16
0.358
SAD-SAT-1b030f84-5
0.358
SAD-SAT-3a925b8b-1
0.358
MAK-UNK-7c9d1431-13
0.357
MAR-TRE-6a44bbf2-78
0.357
SAD-SAT-3a925b8b-6
0.357
MAK-UNK-750cfbcc-1
0.356
MAK-UNK-6c8f5f75-1
0.356
MAK-UNK-750cfbcc-2
0.354
MAR-TRE-6a44bbf2-87
0.353
DRR-IMP-38dce17f-3
0.353
VIK-SYN-bf9c9ac8-7
0.353
VIK-SYN-9a3d118a-4
0.353
MAK-UNK-7c9d1431-24
0.353
AAR-POS-0daf6b7e-18
0.352
MAR-TRE-6a44bbf2-21
0.352
SAD-SAT-65574d3f-9
0.352
MAK-UNK-7c9d1431-9
0.352
AHN-SAT-de2502ba-7
0.352
MAT-POS-162a9720-4
0.346
SAD-SAT-5b1897b2-6
0.346
MAK-UNK-7c9d1431-29
0.346
MAK-UNK-6ca90168-15
0.345
MAK-UNK-987948f6-3
0.345
MAK-UNK-e4a48a85-14
0.345
SAD-SAT-5b1897b2-4
0.345
MAK-UNK-95198336-7
0.342
MAK-UNK-95198336-4
0.342
MAK-UNK-95198336-6
0.342
DRR-IMP-38dce17f-6
0.340
PAU-UNI-8cdd41c7-1
0.340
SIM-SYN-f15aaa3a-1
0.340
MAR-TRE-6a44bbf2-68
0.339
MAR-LAB-ca4662a6-2
0.339
NIM-UNI-310206f0-6
0.339
MAR-LAB-efb042c5-5
0.339
SAD-SAT-581007d4-5
0.339
DRR-IMP-db50bf6e-5
0.339
AAR-POS-d2a4d1df-27
0.339
MAT-POS-ee51dedd-2
0.339
MAK-UNK-af83ef51-2
0.339
SWA-SYN-6423ea73-1
0.333
SWA-SYN-d2e6fa14-1
0.333
SAD-SAT-5b1897b2-10
0.333
SAD-SAT-edc8a235-3
0.333