Molecular Properties | |
SMILES: | CS(=O)(=O)Nc1cc2c(NC(=O)[C@@H]3CNC(=O)c4ccc(Cl)cc43)cncc2cc1F |
MW: | 462.06 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 117.26 |
cLogP: | 2.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-e9bc7c59-3
0.722
PET-UNK-7279c968-9
0.713
PET-UNK-b38839dc-13
0.698
PET-UNK-7279c968-8
0.698
EDJ-MED-d9f3798e-1
0.684
EDJ-MED-827e7cb4-1
0.677
PET-UNK-e9bc7c59-5
0.653
PET-UNK-7279c968-5
0.646
ALP-POS-6f6ae286-1
0.646
PET-UNK-b38839dc-14
0.636
PET-UNK-e9bc7c59-1
0.621
PET-UNK-7279c968-7
0.620
ALP-POS-f1807566-2
0.610
PET-UNK-7279c968-6
0.610
PET-UNK-fe31e24a-2
0.610
PET-UNK-fe31e24a-1
0.610
ROB-UNI-322e8f70-3
0.604
MAT-POS-865c3497-2
0.604
MAT-POS-865c3497-1
0.604
MAT-POS-22e8b45a-1
0.604
MIC-UNK-91acba05-1
0.604
JOH-UNI-d2a12aa9-2
0.600
PET-UNK-329a9ce9-3
0.590
PET-UNK-09a29654-2
0.590
PET-UNK-7279c968-4
0.560
PET-UNK-b38839dc-12
0.560
PET-UNK-7279c968-3
0.554
PET-UNK-7279c968-1
0.554
PET-UNK-7279c968-2
0.545
PET-UNK-e9bc7c59-8
0.541
PET-UNK-c6bcc80b-10
0.492
PET-UNK-c6bcc80b-3
0.492
EDJ-MED-827e7cb4-7
0.471
PET-UNK-e9bc7c59-11
0.470
PET-UNK-e9bc7c59-6
0.470
EDJ-MED-dd2a8363-5
0.468
EDJ-MED-dd2a8363-4
0.459
EDJ-MED-f9b78f78-1
0.459
EDJ-MED-dd2a8363-1
0.458
EDJ-MED-d165ed91-6
0.458
PET-UNK-329a9ce9-7
0.457
EDJ-MED-d9f3798e-2
0.456
EDJ-MED-dd2a8363-3
0.454
EDJ-MED-827e7cb4-8
0.450
JOH-UNI-d2a12aa9-4
0.447
EDJ-MED-827e7cb4-4
0.446
DAR-DIA-9f765dc6-3
0.444
DAR-DIA-9f765dc6-1
0.444
DAR-DIA-9f765dc6-4
0.444
PET-UNK-a7639856-2
0.443
PET-UNK-c6bcc80b-2
0.438
PET-UNK-c6bcc80b-9
0.438
RAL-THA-5ed3c24e-3
0.437
PET-UNK-329a9ce9-4
0.436
PET-UNK-ee8352fa-5
0.429
PET-UNK-09a29654-3
0.429
EDJ-MED-41558c53-7
0.427
PET-UNK-09a29654-5
0.425
EDJ-MED-f9b78f78-5
0.425
EDJ-MED-f9b78f78-2
0.422
EDJ-MED-d165ed91-5
0.421
PET-UNK-81b485b5-10
0.420
PET-UNK-81b485b5-24
0.420
EDJ-MED-41558c53-8
0.418
MIC-UNK-8758c41d-2
0.417
EDJ-MED-41558c53-10
0.415
PET-UNK-c6bcc80b-1
0.414
PET-UNK-c6bcc80b-8
0.414
PET-UNK-c671f938-4
0.413
PET-UNK-c671f938-8
0.413
DAR-DIA-9f765dc6-5
0.413
DAR-DIA-9f765dc6-6
0.413
PET-UNK-b78139fa-6
0.413
DAR-DIA-9f765dc6-2
0.413
TET-ENA-9b1de71a-1
0.412
TET-ENA-382364b7-1
0.412
MAT-POS-edabd372-1
0.412
ERI-UCB-b3e6b0c2-16
0.410
ERI-UCB-b3e6b0c2-8
0.410
PET-UNK-b38839dc-4
0.409
PET-UNK-c6bcc80b-7
0.407
PET-UNK-b38839dc-7
0.407
EDJ-MED-827e7cb4-2
0.407
EDJ-MED-c4e42105-3
0.407
PET-UNK-7bb24635-5
0.405
EDJ-MED-c4e42105-2
0.405
PET-UNK-c671f938-3
0.403
PET-UNK-c671f938-7
0.403
MAT-POS-2e8b2191-11
0.403
PET-UNK-2c6614b6-7
0.402
ERI-UCB-b3e6b0c2-2
0.402
MAT-POS-b4d6b7fc-2
0.400
EDJ-MED-43f8f7d6-8
0.398
EDJ-MED-12c4873b-8
0.398
RAL-THA-8f106089-2
0.398
RAL-THA-8f106089-1
0.398
ERI-UCB-8d4e5055-4
0.398
BEN-DND-c852c98b-5
0.398
ERI-UCB-b3e6b0c2-11
0.398
MAR-UCB-6ab2ec87-1
0.398