Molecular Properties | |
SMILES: | CS(=O)(=O)Nc1cc2c(NC(=O)[C@@H]3CS(=O)(=O)Cc4ccc(Cl)cc43)cncc2cc1F |
MW: | 497.03 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 122.3 |
cLogP: | 3.05 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-329a9ce9-4
0.724
PET-UNK-329a9ce9-1
0.694
ALP-POS-e6e0c683-4
0.680
PET-UNK-1e13ef09-2
0.680
PET-UNK-1b92fa34-2
0.663
PET-UNK-1e13ef09-1
0.649
PET-UNK-329a9ce9-2
0.637
PET-UNK-1e13ef09-6
0.612
PET-UNK-1b92fa34-1
0.608
PET-UNK-1e13ef09-5
0.608
PET-UNK-1e13ef09-4
0.608
PET-UNK-1e13ef09-3
0.608
PET-UNK-09a29654-2
0.600
PET-UNK-e9bc7c59-2
0.590
PET-UNK-e9bc7c59-5
0.585
PET-UNK-b1ef24dc-19
0.564
PET-UNK-e274cad4-5
0.553
PET-UNK-e274cad4-10
0.549
PET-UNK-b1ef24dc-20
0.549
PET-UNK-329a9ce9-7
0.545
PET-UNK-b1ef24dc-18
0.539
PET-UNK-b1ef24dc-17
0.539
JOH-UNI-d2a12aa9-2
0.539
MAT-POS-1a13cd81-1
0.514
PET-UNK-c6bcc80b-2
0.509
PET-UNK-c6bcc80b-9
0.509
PET-UNK-1b92fa34-4
0.481
PET-UNK-c6bcc80b-1
0.480
PET-UNK-c6bcc80b-8
0.480
PET-UNK-b38839dc-7
0.465
PET-UNK-a7639856-2
0.465
PET-UNK-b78139fa-6
0.462
PET-UNK-09a29654-5
0.458
PET-UNK-c6bcc80b-3
0.451
PET-UNK-c6bcc80b-10
0.451
PET-UNK-1b92fa34-3
0.445
PET-UNK-e9bc7c59-8
0.445
PET-UNK-81b485b5-10
0.441
PET-UNK-81b485b5-24
0.441
PET-UNK-b38839dc-10
0.441
PET-UNK-03fd2068-3
0.438
PET-UNK-09a29654-3
0.437
PET-UNK-e9bc7c59-3
0.436
PET-UNK-03fd2068-4
0.430
PET-UNK-e9bc7c59-11
0.430
PET-UNK-e9bc7c59-6
0.429
EDJ-MED-841e0cf0-5
0.426
EDJ-MED-670ad2ee-5
0.426
EDJ-MED-670ad2ee-6
0.426
TET-ENA-382364b7-1
0.421
FRA-DIA-6238d354-2
0.421
PET-UNK-b38839dc-8
0.419
EDJ-MED-d9f3798e-2
0.415
EDJ-MED-670ad2ee-9
0.414
EDJ-MED-841e0cf0-7
0.414
EDJ-MED-670ad2ee-10
0.414
PET-UNK-ee8352fa-5
0.412
PET-UNK-2c6614b6-7
0.411
EDG-MED-f9979214-1
0.410
EDJ-MED-670ad2ee-7
0.410
EDJ-MED-670ad2ee-8
0.410
EDJ-MED-841e0cf0-6
0.410
PET-UNK-b78139fa-7
0.409
EDJ-MED-d9f3798e-3
0.407
PET-UNK-19e211a9-5
0.406
PET-UNK-19e211a9-6
0.406
PET-UNK-b78139fa-5
0.405
PET-UNK-b38839dc-4
0.405
EDJ-MED-f9b78f78-1
0.404
MAT-POS-2e8b2191-10
0.403
PET-UNK-329a9ce9-8
0.403
PET-UNK-7bb24635-5
0.402
EDJ-MED-ede277f6-10
0.402
EDJ-MED-ede277f6-12
0.402
MAT-POS-b4d6b7fc-1
0.400
PET-UNK-f4e47ebd-9
0.400
JOH-UNI-d2a12aa9-4
0.398
PET-UNK-b38839dc-16
0.398
PET-UNK-f4e47ebd-12
0.398
PET-UNK-7279c968-9
0.397
MAT-POS-81ae2990-3
0.395
EDJ-MED-f9b78f78-2
0.395
EDJ-MED-d9f3798e-1
0.395
PET-UNK-f4e47ebd-11
0.395
BEN-DND-c852c98b-5
0.395
MAT-POS-dd3ad2b5-4
0.395
ERI-UCB-8d4e5055-4
0.395
MAT-POS-24589f88-2
0.395
MAT-POS-24589f88-3
0.395
PET-UNK-f4e47ebd-10
0.395
PET-UNK-b38839dc-11
0.393
RAL-THA-ee48ba5f-5
0.393
MAT-POS-7ddaf7de-2
0.391
ERI-UCB-8d4e5055-3
0.391
PET-UNK-c6bcc80b-7
0.391
EDJ-MED-378a25ea-25
0.391
MAT-POS-c7726e07-8
0.391
MAT-POS-c7726e07-7
0.391
EDJ-MED-be9e6f63-3
0.391
PET-UNK-ff046148-4
0.390