Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 |
MW: | 316.1 |
Fraction sp3: | 0.29 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 40.62 |
cLogP: | 2.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ASH-SAT-43770c7d-10
0.569
MAK-UNK-6ca90168-15
0.542
MAK-UNK-987948f6-2
0.536
MAK-UNK-987948f6-3
0.517
DRR-IMP-db50bf6e-3
0.500
DRR-IMP-db50bf6e-1
0.492
AHN-SAT-de2502ba-8
0.492
SAD-SAT-3a925b8b-5
0.492
AAR-POS-d2a4d1df-25
0.492
DRR-IMP-dff87f5e-2
0.485
MAK-UNK-7c9d1431-3
0.485
MAK-UNK-6ca90168-20
0.467
SAD-SAT-581007d4-5
0.460
GIA-UNK-7337c2f3-15
0.452
MAK-UNK-6ca90168-1
0.448
MAR-TRE-6a44bbf2-61
0.419
AAR-POS-d2a4d1df-29
0.419
MAT-POS-ea426761-76
0.413
AAR-POS-0daf6b7e-16
0.413
SAD-SAT-581007d4-6
0.406
MAK-UNK-704ed37c-11
0.396
SAD-SAT-1b030f84-9
0.396
JOH-UNI-27ac80fd-25
0.391
DRR-IMP-38dce17f-3
0.387
MAK-UNK-7c9d1431-24
0.387
YOI-UNK-090ea88a-1
0.385
SAD-SAT-3a925b8b-4
0.375
SAD-SAT-1b030f84-5
0.369
SAD-SAT-3a925b8b-1
0.369
SWA-SYN-d2e6fa14-1
0.368
SWA-SYN-6423ea73-1
0.368
AAR-POS-d2a4d1df-24
0.368
MAR-TRE-6a44bbf2-28
0.368
MAK-UNK-7c9d1431-23
0.368
SAD-SAT-5b1897b2-3
0.364
MAK-UNK-6ca90168-10
0.364
AHN-SAT-de2502ba-7
0.364
MAK-UNK-6ca90168-9
0.362
MAT-POS-ee51dedd-1
0.361
BEN-DND-76ad4ac9-8
0.357
MED-COV-4280ac29-31
0.356
AAR-POS-d2a4d1df-40
0.356
ALE-SYG-bac15da4-2
0.355
DAR-DIA-fb20be43-2
0.355
DAR-DIA-fb20be43-7
0.354
SIM-SYN-f15aaa3a-1
0.354
JOH-UNI-0e1753c1-3
0.353
AAR-POS-d2a4d1df-35
0.353
HYO-UNK-49a60884-1
0.353
MED-COV-4280ac29-15
0.353
AAR-POS-0daf6b7e-21
0.352
DRR-IMP-db50bf6e-4
0.351
MAK-UNK-af83ef51-1
0.351
MAK-UNK-987948f6-5
0.351
PAU-UNI-19862c28-1
0.351
DAR-DIA-fb20be43-8
0.351
BEN-BAS-c3742787-1
0.351
SAD-SAT-5b1897b2-10
0.348
MAK-UNK-6ca90168-4
0.348
MAR-TRE-6a44bbf2-92
0.348
MAR-TRE-6a44bbf2-41
0.347
MAK-UNK-6ca90168-6
0.347
MED-COV-4280ac29-29
0.347
MAK-UNK-6ca90168-7
0.347
TAT-ENA-80bfd3e5-5
0.346
MAK-UNK-704ed37c-12
0.345
MAK-UNK-6ca90168-18
0.345
MAR-TRE-6a44bbf2-21
0.343
MAK-UNK-7c9d1431-9
0.343
SAD-SAT-65574d3f-9
0.343
AAR-POS-0daf6b7e-18
0.343
DRR-IMP-38dce17f-2
0.343
PAU-UNI-b2b6b158-1
0.342
MAK-UNK-52a1ef4b-1
0.339
MAK-UNK-7c9d1431-29
0.338
SAD-SAT-5b1897b2-4
0.338
MAK-UNK-6ca90168-14
0.338
AAR-POS-0daf6b7e-17
0.338
DRR-IMP-38dce17f-5
0.338
LON-WEI-8f408cad-5
0.338
AAR-POS-0daf6b7e-2
0.338
DRR-IMP-38dce17f-7
0.338
MAR-TRE-6a44bbf2-77
0.338
JOO-IND-3132366c-1
0.337
PAU-WEI-3e86dfd8-1
0.337
MIH-UNI-e573136b-4
0.333
AAR-POS-d2a4d1df-22
0.333
DAN-MCD-50d01569-1
0.333
DRR-IMP-38dce17f-4
0.333
DRR-IMP-38dce17f-6
0.333
DAR-DIA-fb20be43-6
0.333
PAU-UNI-8cdd41c7-1
0.333
LON-WEI-8f408cad-3
0.333
MAR-TRE-6a44bbf2-52
0.333
MAK-UNK-6ca90168-8
0.333
TAT-ENA-80bfd3e5-17
0.329
IAN-BAS-44680fdf-1
0.329
NIM-UNI-13494739-7
0.329
SEL-UNI-cd366922-7
0.329
SWA-SYN-6423ea73-7
0.329