Molecular Properties | |
SMILES: | O=C(CCl)N1CC2CCC(C1)N2C(c1ccccc1)c1cccc(Cl)c1 |
MW: | 388.11 |
Fraction sp3: | 0.38 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 23.55 |
cLogP: | 4.34 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
GIA-UNK-c4371e97-2
0.759
GIA-UNK-c4371e97-1
0.723
GIA-UNK-7337c2f3-2
0.557
DAR-DIA-3e9bbd81-12
0.557
DAR-DIA-3e9bbd81-3
0.513
MED-COV-4280ac29-6
0.478
MED-COV-4280ac29-18
0.447
MAK-UNK-10799360-36
0.442
MAK-UNK-ec98eaf6-6
0.422
GIA-UNK-4de5abb1-1
0.421
MED-COV-4280ac29-7
0.418
PAU-WEI-3e86dfd8-2
0.415
SIM-SYN-f15aaa3a-1
0.406
SEA-TRI-8222e606-1
0.402
GIA-UNK-7337c2f3-1
0.395
PAU-WEI-b9b69149-1
0.393
SEA-TRI-2c7f3de8-1
0.393
GIA-UNK-7337c2f3-8
0.392
GIA-UNK-7337c2f3-5
0.392
MAK-UNK-ec98eaf6-1
0.391
GIA-UNK-7337c2f3-11
0.378
DAR-DIA-3e9bbd81-11
0.373
GIA-UNK-7337c2f3-13
0.373
GIA-UNK-7337c2f3-4
0.372
MAK-UNK-df1a028e-9
0.364
DAR-DIA-3e9bbd81-15
0.363
MAK-UNK-ec98eaf6-49
0.363
AHN-SAT-721e3e40-1
0.360
GIA-UNK-20b63697-1
0.359
GIA-UNK-20b63697-7
0.355
SEL-UNI-cd366922-5
0.354
GIA-UNK-7337c2f3-7
0.354
GIA-UNK-7337c2f3-15
0.353
DAR-DIA-3e9bbd81-7
0.352
MAK-UNK-6ca90168-11
0.351
MED-COV-4280ac29-34
0.351
DAR-DIA-3e9bbd81-14
0.351
GIA-UNK-7337c2f3-3
0.350
GIA-UNK-7337c2f3-10
0.350
DAN-LON-a5fc619e-1
0.341
GIA-UNK-7337c2f3-12
0.341
PAU-WEI-b9b69149-3
0.333
GIA-UNK-7337c2f3-6
0.333
JOH-UNI-0e1753c1-5
0.330
DAN-LON-a5fc619e-5
0.330
DAN-LON-a5fc619e-3
0.330
GIA-UNK-4de5abb1-4
0.329
HYO-UNK-49a60884-1
0.329
AAR-POS-d2a4d1df-35
0.329
JOH-UNI-0e1753c1-3
0.329
MED-COV-4280ac29-15
0.329
MAK-UNK-ec98eaf6-15
0.327
YOI-UNK-a533afbc-6
0.326
YOI-UNK-12211982-6
0.326
GIA-UNK-7337c2f3-9
0.325
NAM-UNK-f7c77a48-4
0.325
SAD-SAT-29425be4-7
0.324
DAR-DIA-3e9bbd81-5
0.323
PAU-WEI-b9b69149-2
0.323
SAD-SAT-c989feaa-3
0.322
DAN-LON-a5fc619e-10
0.322
BRU-CON-67e07230-1
0.322
GIA-UNK-20b63697-3
0.321
SAD-SAT-65574d3f-9
0.320
MAK-UNK-ec98eaf6-46
0.319
SAD-SAT-c989feaa-5
0.318
GIA-UNK-20b63697-8
0.318
GIA-UNK-20b63697-6
0.317
DAN-LON-a5fc619e-8
0.317
MAK-UNK-6ca90168-15
0.316
GIA-UNK-4de5abb1-2
0.315
DAN-LON-a5fc619e-4
0.314
MAK-UNK-ec98eaf6-50
0.312
MAK-UNK-af83ef51-2
0.312
DAN-LON-a5fc619e-6
0.311
DAN-LON-a5fc619e-9
0.311
GIA-UNK-7337c2f3-14
0.311
DAV-CRI-3edb475e-4
0.311
AAR-POS-0daf6b7e-10
0.311
MAK-UNK-ec98eaf6-44
0.310
MED-COV-4280ac29-29
0.309
DAN-LON-a5fc619e-7
0.308
MAR-TRE-6a44bbf2-92
0.308
MED-COV-4280ac29-23
0.306
GIA-UNK-20b63697-5
0.306
GIA-UNK-20b63697-2
0.306
GIA-UNK-20b63697-4
0.306
MAK-UNK-5d2caa6f-3
0.306
GIA-UNK-20b63697-9
0.303
SAD-SAT-c989feaa-10
0.303
MED-COV-4280ac29-38
0.299
GIA-UNK-4de5abb1-5
0.299
MED-COV-4280ac29-13
0.298
MAK-UNK-ec98eaf6-9
0.297
DRR-IMP-dff87f5e-8
0.296
AHN-SAT-de2502ba-1
0.294
DAN-LON-a5fc619e-2
0.294
MAK-UNK-ec98eaf6-45
0.293
MED-COV-4280ac29-12
0.293
THO-SYG-4e0386bb-1
0.292