Molecular Properties | |
SMILES: | CN(c1ccc2cncc(NC(=O)[C@@H]3CS(=O)(=O)Cc4ccc(Cl)cc43)c2c1)S(C)(=O)=O |
MW: | 493.05 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 113.51 |
cLogP: | 2.93 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-1e13ef09-2
0.742
ALP-POS-e6e0c683-4
0.742
PET-UNK-329a9ce9-1
0.719
PET-UNK-329a9ce9-4
0.714
PET-UNK-1b92fa34-2
0.707
PET-UNK-1b92fa34-1
0.649
PET-UNK-329a9ce9-3
0.637
PET-UNK-1e13ef09-6
0.635
PET-UNK-09a29654-1
0.621
PET-UNK-1e13ef09-5
0.615
PET-UNK-1e13ef09-3
0.614
PET-UNK-e9bc7c59-1
0.606
PET-UNK-e9bc7c59-4
0.600
PET-UNK-1e13ef09-1
0.590
PET-UNK-1e13ef09-4
0.583
PET-UNK-b1ef24dc-19
0.570
PET-UNK-329a9ce9-6
0.565
MAT-POS-1a13cd81-1
0.563
PET-UNK-e274cad4-5
0.559
MAT-POS-37ffad05-1
0.558
PET-UNK-b1ef24dc-20
0.554
PET-UNK-e274cad4-10
0.554
PET-UNK-b1ef24dc-17
0.545
PET-UNK-b1ef24dc-18
0.545
PET-UNK-1b92fa34-4
0.514
MAT-POS-78ab8081-5
0.500
MAT-POS-90fd5f68-28
0.485
PET-UNK-a7639856-1
0.478
PET-UNK-7bb24635-4
0.477
PET-UNK-09a29654-4
0.474
EDJ-MED-f9b78f78-2
0.473
PET-UNK-19e211a9-10
0.471
MAT-POS-78ab8081-6
0.471
EDJ-MED-94fddcec-1
0.469
PET-UNK-03fd2068-3
0.468
PET-UNK-e9bc7c59-7
0.466
EDJ-MED-841e0cf0-6
0.464
EDJ-MED-670ad2ee-7
0.464
EDJ-MED-670ad2ee-8
0.464
PET-UNK-fe31e24a-2
0.464
PET-UNK-fe31e24a-6
0.464
FRA-DIA-6238d354-2
0.464
PET-UNK-ee8352fa-4
0.463
EDJ-MED-841e0cf0-7
0.455
EDJ-MED-670ad2ee-10
0.455
EDJ-MED-670ad2ee-9
0.455
MAT-POS-b4d6b7fc-3
0.455
PET-UNK-81b485b5-25
0.454
PET-UNK-81b485b5-11
0.454
PET-UNK-1b92fa34-3
0.450
PET-UNK-e9bc7c59-10
0.445
MAT-POS-22373164-1
0.444
EDJ-MED-841e0cf0-5
0.442
EDJ-MED-670ad2ee-5
0.442
EDJ-MED-670ad2ee-6
0.442
PET-UNK-09a29654-3
0.441
EDJ-MED-009f762b-5
0.440
PET-UNK-b78139fa-7
0.439
MAT-POS-c88128cb-2
0.435
MAT-POS-81ae2990-3
0.433
PET-UNK-e9bc7c59-3
0.427
EDJ-MED-378a25ea-8
0.425
EDJ-MED-93390d0c-1
0.425
ERI-UCB-8d4e5055-4
0.423
BEN-DND-c852c98b-5
0.423
MAT-POS-24589f88-2
0.423
MAT-POS-dd3ad2b5-4
0.423
MAT-POS-24589f88-3
0.423
MAT-POS-81ae2990-6
0.423
EDJ-MED-d9f3798e-3
0.422
MAT-POS-4223bc15-2
0.421
PET-UNK-e9bc7c59-6
0.420
MAT-POS-b4d6b7fc-4
0.419
EDJ-MED-d9f3798e-2
0.419
MAT-POS-2e8b2191-10
0.418
MAT-POS-666635d5-2
0.417
MAT-POS-83f73d0a-1
0.417
PET-UNK-f4e47ebd-9
0.416
MAT-POS-78ab8081-3
0.414
MAT-POS-4223bc15-1
0.412
EDJ-MED-827e7cb4-1
0.412
MAT-POS-83f73d0a-2
0.410
MAT-POS-78ab8081-1
0.410
EDJ-MED-d9f3798e-1
0.410
MAT-POS-c88128cb-1
0.410
MAT-POS-97ec4bd1-1
0.409
RAL-THA-b9d6aec1-1
0.409
RAL-THA-ee48ba5f-5
0.409
EDJ-MED-378a25ea-10
0.408
MAT-POS-4223bc15-29
0.407
PET-UNK-329a9ce9-8
0.407
BEN-DND-f2e727cd-6
0.405
MAT-POS-dd3ad2b5-1
0.405
ALF-EVA-5b152d2f-2
0.405
PET-UNK-162c14b2-2
0.405
ALF-EVA-0e90125c-4
0.405
ALP-UNI-c3ef0aba-2
0.404
BEN-DND-f2e727cd-4
0.404
MAT-POS-4223bc15-18
0.404
RAL-THA-b9d6aec1-3
0.404