Molecular Properties | |
SMILES: | Cc1cc(S(C)(=O)=O)cc2cncc(N3CCC4(CCOc5ccc(Cl)cc54)C3)c12 |
MW: | 442.11 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 59.5 |
cLogP: | 4.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-a6bab6fb-1
0.667
EDJ-MED-e78d5f1a-1
0.612
EDJ-MED-159244ea-2
0.545
MAT-POS-983b399a-2
0.545
EDJ-MED-f3cfbbb5-1
0.395
MAT-POS-96f51285-2
0.381
EDJ-MED-611d11e7-1
0.381
EDJ-MED-159244ea-3
0.377
MAT-POS-983b399a-3
0.377
PET-UNK-a7639856-1
0.369
EDJ-MED-3656d29d-1
0.366
ALF-EVA-82cf4849-8
0.361
PET-UNK-a7639856-2
0.350
EDG-MED-10fcb19e-1
0.347
EDG-MED-10fcb19e-2
0.347
EDG-MED-10fcb19e-3
0.347
PET-UNK-c761fc18-1
0.345
EDJ-MED-d2def222-1
0.345
EDJ-MED-1b46f08e-1
0.344
PET-UNK-0cc03aae-3
0.344
ALP-POS-477dc5b7-4
0.339
EDJ-MED-159244ea-1
0.339
MAT-POS-983b399a-1
0.339
EDJ-MED-611d11e7-7
0.339
VLA-UCB-05e51b3f-6
0.339
VLA-UCB-50c39ae8-3
0.339
MAT-POS-96f51285-1
0.339
MAT-POS-24589f88-1
0.339
PET-UNK-ee8352fa-1
0.339
VLA-UCB-50c39ae8-2
0.336
VLA-UCB-05e51b3f-5
0.336
BEN-BAS-c2bc0d80-6
0.336
MAT-POS-94643566-1
0.336
MAT-POS-a5ef2d74-2
0.336
EDJ-MED-611d11e7-4
0.336
MAT-POS-ec6d90b7-4
0.336
PET-UNK-f4e47ebd-18
0.336
EDJ-MED-6bf93aa8-1
0.336
JOH-UNI-6e27fddc-1
0.333
ALF-EVA-82cf4849-4
0.333
MAT-POS-e6dd326d-4
0.333
MIC-UNK-7f86385f-1
0.333
MIC-UNK-7f86385f-2
0.328
ALP-POS-477dc5b7-5
0.328
DAR-DIA-ecdbc7dd-13
0.328
ALP-POS-e0fe77e5-8
0.328
MAT-POS-e20a5dfb-1
0.328
MAT-POS-e20a5dfb-2
0.328
ALP-POS-e0fe77e5-7
0.328
PET-UNK-c761fc18-5
0.328
MAT-POS-90505e2b-1
0.328
MAT-POS-ec6d90b7-1
0.328
MAT-POS-ec6d90b7-2
0.328
PET-UNK-0df12184-4
0.328
PET-UNK-a7639856-3
0.326
RAL-THA-e002e396-1
0.325
PET-UNK-0df12184-3
0.325
ALF-EVA-82cf4849-13
0.323
DAR-DIA-ecdbc7dd-4
0.323
PET-UNK-ee8352fa-3
0.323
JOH-UNI-6e27fddc-7
0.322
MAR-UCB-fd2e172f-20
0.322
EDJ-MED-d2def222-2
0.322
MIC-UNK-7f86385f-3
0.321
MIC-UNK-7f86385f-4
0.321
EDG-MED-10fcb19e-5
0.320
DAR-DIA-6a508060-13
0.320
ALP-POS-93b3621f-3
0.320
ALP-POS-93b3621f-4
0.320
BEN-BAS-c2bc0d80-7
0.320
VLA-UCB-29506327-1
0.319
VLA-UNK-cf7facf1-1
0.319
VLA-UCB-34f3ed0c-11
0.319
ALP-POS-5de921e7-1
0.319
KAD-UNI-b13decd3-9
0.319
KAD-UNI-8a629cb0-27
0.319
MIC-UNK-7f86385f-5
0.318
DAR-DIA-ecdbc7dd-2
0.318
DAR-DIA-ecdbc7dd-18
0.318
PET-UNK-3bb57da2-1
0.317
DAR-DIA-ecdbc7dd-3
0.317
EDG-MED-21720aac-9
0.317
VLA-UCB-34f3ed0c-12
0.317
EDJ-MED-d08626de-2
0.317
PET-UNK-29afea89-2
0.317
EDJ-MED-d08626de-1
0.317
MAR-UCB-fd2e172f-25
0.317
BRU-THA-73c97d88-1
0.317
EDG-MED-0e5afe9d-3
0.317
ALF-EVA-82cf4849-11
0.315
RAL-THA-e002e396-7
0.315
RAL-THA-e002e396-2
0.315
PET-UNK-b38839dc-20
0.315
PET-UNK-b38839dc-19
0.315
MAR-UCB-fd2e172f-8
0.314
DAR-DIA-0f7b7cd9-8
0.314
NIR-THE-1e03c142-1
0.314
PET-UNK-f4e47ebd-17
0.314
EDJ-MED-611d11e7-10
0.314
MAT-POS-a5ef2d74-3
0.314