Molecular Properties | |
SMILES: | COc1cccc(C(c2cc(Cl)cc(Cl)c2)N2CCN(C(=O)CCl)CC2)c1 |
MW: | 426.07 |
Fraction sp3: | 0.35 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 32.78 |
cLogP: | 4.47 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
GIA-UNK-4de5abb1-5
0.681
GIA-UNK-4de5abb1-4
0.657
GIA-UNK-4de5abb1-1
0.632
MED-COV-4280ac29-6
0.567
GIA-UNK-7337c2f3-2
0.514
DAR-DIA-3e9bbd81-12
0.514
MED-COV-4280ac29-7
0.513
MED-COV-4280ac29-18
0.507
SEA-TRI-8222e606-1
0.475
SIM-SYN-f15aaa3a-1
0.471
GIA-UNK-7337c2f3-8
0.468
SEA-TRI-2c7f3de8-1
0.463
MED-COV-4280ac29-23
0.462
GIA-UNK-7337c2f3-1
0.453
PAU-WEI-3e86dfd8-2
0.451
GIA-UNK-7337c2f3-5
0.449
SIM-SYN-f15aaa3a-2
0.446
GIA-UNK-7337c2f3-11
0.432
GIA-UNK-7337c2f3-7
0.429
GIA-UNK-7337c2f3-13
0.427
DAR-DIA-3e9bbd81-11
0.427
GIA-UNK-7337c2f3-3
0.423
GIA-UNK-7337c2f3-15
0.422
WAL-WAB-df110a02-2
0.417
PEI-IMP-ca0b2813-3
0.412
GIA-UNK-7337c2f3-4
0.410
MAR-TRE-6a44bbf2-77
0.408
GIA-UNK-7337c2f3-10
0.405
MED-COV-4280ac29-34
0.396
GIA-UNK-7337c2f3-12
0.395
GIA-UNK-4de5abb1-3
0.395
GIA-UNK-7337c2f3-9
0.395
GIA-UNK-7337c2f3-6
0.388
NEH-REV-107bcf72-2
0.386
PAU-WEI-b9b69149-1
0.379
SAD-SAT-65574d3f-9
0.378
GIA-UNK-20b63697-7
0.377
GIA-UNK-c4371e97-1
0.369
JON-UNI-bb9dc649-11
0.367
PAU-WEI-b9b69149-3
0.367
MAR-TRE-6a44bbf2-92
0.364
ANT-STE-dbb91f63-2
0.363
GIA-UNK-20b63697-1
0.362
MIH-UNI-e573136b-7
0.360
AAR-POS-0daf6b7e-18
0.360
MAK-UNK-7c9d1431-17
0.354
PAU-UNI-8cdd41c7-1
0.351
DAR-DIA-3e9bbd81-15
0.351
MAK-UNK-af83ef51-2
0.350
GIA-UNK-7337c2f3-14
0.344
JON-UNI-bb9dc649-6
0.341
SEL-UNI-cd366922-5
0.341
MAK-UNK-7c9d1431-30
0.341
MAR-TRE-6a44bbf2-45
0.341
SEL-UNI-cd366922-9
0.341
PAU-WEI-b9b69149-2
0.340
SAD-SAT-5b1897b2-4
0.338
SAD-SAT-bc31ec01-5
0.338
MAK-UNK-6ca90168-15
0.338
GIA-UNK-20b63697-8
0.337
DAR-DIA-fb20be43-7
0.337
PAU-WEI-3e86dfd8-1
0.337
SEL-UNI-cd366922-2
0.333
AAR-POS-d2a4d1df-35
0.333
HYO-UNK-49a60884-1
0.333
JOH-UNI-0e1753c1-3
0.333
MED-COV-4280ac29-11
0.333
MED-COV-4280ac29-15
0.333
DAR-DIA-caba39e3-2
0.330
MED-COV-4280ac29-29
0.329
PAU-WEI-b9b69149-4
0.326
GIA-UNK-20b63697-5
0.326
TAT-ENA-80bfd3e5-30
0.325
MAK-UNK-10dfa458-39
0.325
DRR-IMP-dff87f5e-4
0.325
VIK-SYN-9a3d118a-1
0.324
MED-COV-4280ac29-21
0.324
DRR-IMP-38dce17f-8
0.322
MED-COV-4280ac29-33
0.321
GIA-UNK-20b63697-6
0.321
MIH-UNI-e573136b-6
0.319
LUI-IND-2c46affe-3
0.319
MED-COV-4280ac29-37
0.318
MAT-POS-162a9720-2
0.317
NIL-NON-a189c016-1
0.317
DRR-IMP-dff87f5e-8
0.317
PAU-WEI-b9b69149-6
0.316
PEI-IMP-668afc53-1
0.315
GIA-UNK-c4371e97-3
0.315
MED-COV-4280ac29-12
0.313
AAR-POS-d2a4d1df-24
0.312
SAD-SAT-581007d4-2
0.312
GIA-UNK-20b63697-2
0.310
GIA-UNK-20b63697-4
0.310
GIA-UNK-20b63697-3
0.310
NIR-THE-0d6461ce-9
0.310
SAD-SAT-65574d3f-10
0.310
NIR-THE-0d6461ce-1
0.310
SAD-SAT-5b1897b2-5
0.310
AHN-SAT-de2502ba-7
0.308