Molecular Properties | |
SMILES: | Cc1cccc(C(c2ccc(C)s2)N2CCN(C(=O)CCl)CC2)c1 |
MW: | 362.926 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 23.55 |
cLogP: | 3.83734 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
SIM-SYN-f15aaa3a-2
0.776
SEA-TRI-2c7f3de8-1
0.750
GIA-UNK-7337c2f3-8
0.623
MED-COV-4280ac29-23
0.614
MED-COV-4280ac29-7
0.606
SEA-TRI-8222e606-1
0.560
PAU-WEI-3e86dfd8-2
0.553
MIH-UNI-e573136b-7
0.487
MED-COV-4280ac29-6
0.486
SEL-UNI-cd366922-9
0.463
SIM-SYN-f15aaa3a-1
0.456
GIA-UNK-7337c2f3-7
0.453
MIH-UNI-e573136b-6
0.447
GIA-UNK-7337c2f3-2
0.442
DAR-DIA-3e9bbd81-12
0.442
GIA-UNK-7337c2f3-5
0.436
MED-COV-4280ac29-18
0.436
GIA-UNK-7337c2f3-13
0.432
AAR-POS-d2a4d1df-24
0.425
GIA-UNK-4de5abb1-4
0.420
GIA-UNK-7337c2f3-11
0.420
GIA-UNK-4de5abb1-2
0.417
SAD-SAT-5b1897b2-4
0.417
DAR-DIA-3e9bbd81-11
0.415
GIA-UNK-4de5abb1-1
0.410
NEH-REV-107bcf72-2
0.407
GIA-UNK-7337c2f3-1
0.403
GIA-UNK-7337c2f3-12
0.400
GIA-UNK-7337c2f3-9
0.400
GIA-UNK-7337c2f3-4
0.397
GIA-UNK-7337c2f3-15
0.393
GIA-UNK-7337c2f3-10
0.392
PAU-WEI-3e86dfd8-1
0.385
NIR-THE-0d6461ce-1
0.380
GIA-UNK-7337c2f3-3
0.375
GIA-UNK-7337c2f3-6
0.375
GIA-UNK-4de5abb1-5
0.369
MAR-TRE-6a44bbf2-92
0.368
MAK-UNK-af83ef51-6
0.367
GIA-UNK-20b63697-7
0.364
GIA-UNK-7337c2f3-14
0.364
MAK-UNK-ec98eaf6-9
0.364
MED-COV-4280ac29-34
0.357
NIR-THE-0d6461ce-11
0.356
STU-CHA-07310c75-1
0.356
PAU-WEI-b9b69149-3
0.356
MAK-UNK-ec98eaf6-1
0.352
GIA-UNK-20b63697-1
0.350
PAU-WEI-f734c343-3
0.347
SEL-UNI-cd366922-5
0.346
GIA-UNK-20b63697-4
0.345
NIR-THE-0d6461ce-10
0.344
NIR-THE-0d6461ce-12
0.344
MED-COV-4280ac29-21
0.340
AAR-POS-d2a4d1df-25
0.338
AHN-SAT-de2502ba-8
0.338
MAK-UNK-af83ef51-2
0.338
SEL-UNI-cd366922-2
0.337
PAU-WEI-f734c343-1
0.337
STU-CHA-0be58c98-1
0.333
AAR-POS-d2a4d1df-36
0.333
JOK-SYG-18591e8f-1
0.333
AAR-POS-0daf6b7e-16
0.333
SAD-SAT-c989feaa-8
0.333
MAK-UNK-6ca90168-4
0.333
JOH-UNI-27ac80fd-25
0.333
PAU-WEI-b9b69149-6
0.333
GIA-UNK-20b63697-2
0.329
GIA-UNK-20b63697-5
0.329
TAT-ENA-80bfd3e5-30
0.329
SAD-SAT-65574d3f-9
0.329
MED-COV-4280ac29-4
0.326
GIA-UNK-20b63697-6
0.325
MAR-TRE-6a44bbf2-77
0.325
ASH-SAT-43770c7d-10
0.325
MAK-UNK-6ca90168-15
0.325
PAU-WEI-f734c343-2
0.324
PAU-WEI-b9b69149-1
0.322
MAT-POS-162a9720-2
0.321
NIL-NON-a189c016-1
0.321
HYO-UNK-49a60884-1
0.321
JOH-UNI-0e1753c1-3
0.321
AAR-POS-d2a4d1df-35
0.321
MED-COV-4280ac29-15
0.321
MAR-TRE-6a44bbf2-61
0.320
AAR-POS-d2a4d1df-29
0.320
RHE-UNK-eb059eb9-1
0.317
AAR-POS-0daf6b7e-3
0.317
MAR-TRE-6a44bbf2-13
0.317
WAR-XCH-79d12f6e-6
0.317
MED-COV-4280ac29-29
0.317
SAD-SAT-581007d4-2
0.316
MAK-UNK-7c9d1431-20
0.316
PAU-WEI-b9b69149-2
0.316
SAD-SAT-29425be4-20
0.315
GIA-UNK-20b63697-3
0.314
NIM-UNI-05f93fcc-11
0.314
MAK-UNK-176ca439-2
0.312
DAR-DIA-3e9bbd81-15
0.312
DRR-IMP-38dce17f-2
0.312