Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(=O)n2cccc2)CC1 |
MW: | 255.08 |
Fraction sp3: | 0.45 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 45.55 |
cLogP: | 0.84 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-7
SAD-SAT-1b030f84-9
0.543
MAK-UNK-704ed37c-10
0.500
MAK-UNK-704ed37c-13
0.478
AAR-POS-0daf6b7e-21
0.463
MAK-UNK-704ed37c-11
0.452
MAK-UNK-52a1ef4b-2
0.442
MAK-UNK-52a1ef4b-3
0.442
VIK-SYN-bf9c9ac8-7
0.431
VIK-SYN-9a3d118a-4
0.431
MAR-TRE-6a44bbf2-87
0.431
MAK-UNK-987948f6-5
0.422
MAK-UNK-6ca90168-16
0.422
MAK-UNK-704ed37c-12
0.413
MAK-UNK-6ca90168-17
0.413
MAK-UNK-6ca90168-18
0.413
MAK-UNK-987948f6-4
0.404
SAD-SAT-1b030f84-8
0.404
SAD-SAT-5b1897b2-9
0.404
MAK-UNK-987948f6-2
0.404
MAK-UNK-4b073b5c-16
0.390
SIM-SYN-f15aaa3a-1
0.389
SAD-SAT-3a925b8b-4
0.389
AAR-POS-d2a4d1df-29
0.389
SAD-SAT-3a925b8b-5
0.389
MAR-TRE-6a44bbf2-61
0.389
VIK-SYN-bf9c9ac8-1
0.388
YOI-UNK-15f562e8-4
0.388
VIK-SYN-bf9c9ac8-2
0.388
MAK-UNK-95198336-3
0.385
AAR-POS-0daf6b7e-16
0.382
VIK-SYN-9a3d118a-1
0.380
MAK-UNK-7c9d1431-24
0.377
DRR-IMP-38dce17f-3
0.377
AHN-SAT-de2502ba-7
0.375
MAK-UNK-6ca90168-10
0.375
DRR-IMP-38dce17f-2
0.373
SAD-SAT-d8079f6f-3
0.372
SAD-SAT-d8079f6f-5
0.372
SEL-UNI-cd366922-5
0.371
DRR-IMP-db50bf6e-3
0.370
MAK-UNK-6ca90168-15
0.368
MAK-UNK-7c9d1431-28
0.368
TOB-UNK-c2aba166-1
0.367
MAK-UNK-6ca90168-20
0.364
SAD-SAT-d8079f6f-6
0.364
AAR-POS-d2a4d1df-25
0.364
AHN-SAT-de2502ba-8
0.364
DRR-IMP-db50bf6e-1
0.364
SAD-SAT-3a925b8b-2
0.362
JOH-UNI-27ac80fd-25
0.357
SAD-SAT-1b030f84-5
0.357
SAD-SAT-3a925b8b-1
0.357
SAD-SAT-5b1897b2-10
0.357
MAR-TRE-6a44bbf2-92
0.356
SAD-SAT-65574d3f-1
0.356
LON-WEI-8f408cad-2
0.356
SWA-SYN-d2e6fa14-1
0.356
MED-COV-4280ac29-6
0.356
SWA-SYN-6423ea73-1
0.356
AAR-POS-d2a4d1df-32
0.356
MAK-UNK-6ca90168-4
0.356
AHN-SAT-de2502ba-14
0.356
MAR-TRE-6a44bbf2-4
0.356
SAD-SAT-bc31ec01-2
0.356
MAK-UNK-f983951f-21
0.356
WAR-XCH-b0339bbe-18
0.353
DRR-IMP-38dce17f-1
0.351
MAK-UNK-7c9d1431-9
0.351
MAR-TRE-6a44bbf2-21
0.351
SAD-SAT-65574d3f-9
0.351
DRR-IMP-dff87f5e-4
0.351
SAD-SAT-5b1897b2-3
0.351
MAK-UNK-6ca90168-9
0.350
SAD-SAT-d8079f6f-4
0.348
SAD-SAT-6b5a89f0-2
0.348
MAT-POS-162a9720-4
0.345
MAK-UNK-7c9d1431-29
0.345
SAD-SAT-5b1897b2-6
0.345
DRR-IMP-38dce17f-5
0.345
AAR-POS-0daf6b7e-17
0.345
LON-WEI-8f408cad-5
0.345
MAK-UNK-987948f6-3
0.345
ASH-SAT-43770c7d-10
0.345
SAD-SAT-1b030f84-4
0.345
SAD-SAT-5b1897b2-4
0.345
GIA-UNK-4de5abb1-1
0.344
DRR-IMP-38dce17f-6
0.339
PAU-UNI-8cdd41c7-1
0.339
SWA-SYN-6423ea73-5
0.339
SWA-SYN-d2e6fa14-5
0.339
DRR-IMP-38dce17f-4
0.339
AAR-POS-d2a4d1df-22
0.339
AAR-POS-d2a4d1df-35
0.339
MED-COV-4280ac29-15
0.339
JOH-UNI-0e1753c1-3
0.339
MAR-TRE-6a44bbf2-52
0.339
NIM-UNI-310206f0-6
0.339
MAK-UNK-d4768348-4
0.339
PEI-IMP-ca0b2813-2
0.339
LON-WEI-8f408cad-3
0.339