Molecular Properties | |
SMILES: | CS(=O)(=O)Nc1ccc2cncc(NC(=O)[C@@H]3CS(=O)(=O)Cc4ccc(Cl)cc43)c2c1 |
MW: | 479.04 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 122.3 |
cLogP: | 2.91 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALP-POS-e6e0c683-4
0.750
PET-UNK-1e13ef09-2
0.750
PET-UNK-329a9ce9-2
0.719
PET-UNK-1b92fa34-2
0.714
PET-UNK-329a9ce9-3
0.694
PET-UNK-1b92fa34-1
0.656
PET-UNK-1e13ef09-6
0.642
PET-UNK-329a9ce9-4
0.637
PET-UNK-1e13ef09-5
0.621
PET-UNK-1e13ef09-3
0.620
EDJ-MED-d9f3798e-3
0.608
EDJ-MED-d9f3798e-2
0.602
PET-UNK-1e13ef09-1
0.596
MAT-POS-2e8b2191-10
0.593
EDJ-MED-d9f3798e-1
0.592
PET-UNK-1e13ef09-4
0.588
PET-UNK-b1ef24dc-19
0.576
MAT-POS-1a13cd81-1
0.569
EDJ-MED-378a25ea-26
0.566
MAT-POS-e36d57d9-1
0.566
MAT-POS-2e8b2191-9
0.566
PET-UNK-b1ef24dc-20
0.560
PET-UNK-e274cad4-10
0.560
PET-UNK-b1ef24dc-18
0.550
PET-UNK-b1ef24dc-17
0.550
PET-UNK-e274cad4-5
0.549
MAT-POS-2e8b2191-11
0.545
EDJ-MED-c4e42105-2
0.544
EDJ-MED-c4e42105-3
0.536
PET-UNK-329a9ce9-5
0.532
PET-UNK-1b92fa34-4
0.519
EDJ-MED-c4e42105-4
0.517
EDJ-MED-c4e42105-1
0.513
MAT-POS-419aafdb-1
0.491
PET-UNK-03fd2068-3
0.486
MAT-POS-419aafdb-2
0.482
FRA-DIA-6238d354-2
0.481
MAT-POS-90fd5f68-30
0.471
EDG-MED-f9979214-1
0.468
MAT-POS-c88128cb-2
0.463
EDJ-MED-841e0cf0-7
0.459
EDJ-MED-670ad2ee-9
0.459
EDJ-MED-670ad2ee-10
0.459
PET-UNK-b78139fa-7
0.457
EDJ-MED-841e0cf0-6
0.455
EDJ-MED-670ad2ee-8
0.455
EDJ-MED-670ad2ee-7
0.455
MAT-POS-b4d6b7fc-1
0.454
PET-UNK-1b92fa34-3
0.454
EDJ-MED-841e0cf0-5
0.446
EDJ-MED-670ad2ee-5
0.446
EDJ-MED-670ad2ee-6
0.446
MAT-POS-666635d5-2
0.444
MAT-POS-83f73d0a-1
0.444
EDG-MED-10fcb19e-1
0.443
MAT-POS-c7726e07-8
0.443
EDJ-MED-be9e6f63-3
0.443
EDJ-MED-378a25ea-25
0.443
MAT-POS-c7726e07-7
0.443
TET-ENA-382364b7-1
0.441
MAT-POS-dd3ad2b5-4
0.440
MAT-POS-24589f88-3
0.440
MAT-POS-24589f88-2
0.440
RAL-THA-ee48ba5f-5
0.438
MAT-POS-c88128cb-1
0.437
MAT-POS-81ae2990-3
0.437
PET-UNK-f4e47ebd-9
0.432
MAT-POS-78ab8081-5
0.432
PET-UNK-09a29654-1
0.431
PET-UNK-c6bcc80b-9
0.430
PET-UNK-c6bcc80b-2
0.430
EDJ-MED-93390d0c-1
0.429
PET-UNK-81b485b5-9
0.429
PET-UNK-81b485b5-23
0.429
EDJ-MED-378a25ea-20
0.429
MAT-POS-78ab8081-3
0.429
BEN-DND-c852c98b-5
0.427
ERI-UCB-8d4e5055-4
0.427
MAT-POS-81ae2990-6
0.426
MAT-POS-97ec4bd1-1
0.424
EDJ-MED-378a25ea-10
0.423
EDJ-MED-fa7708b3-1
0.422
RAL-THA-ee48ba5f-1
0.422
MAT-POS-dd3ad2b5-1
0.422
BEN-DND-f2e727cd-6
0.422
PET-UNK-162c14b2-2
0.421
EDJ-MED-009f762b-5
0.419
PET-UNK-e9bc7c59-1
0.419
ALP-POS-d054b76b-2
0.418
EDJ-MED-4fff0a85-4
0.417
MAT-POS-bf364d7a-3
0.417
MAT-POS-bf364d7a-4
0.417
MAT-POS-97ec4bd1-3
0.417
MAT-POS-97ec4bd1-2
0.416
MAT-POS-5c19d660-2
0.416
EDJ-MED-827e7cb4-1
0.416
MAT-POS-4223bc15-1
0.416
MAT-POS-4223bc15-6
0.416
PET-UNK-e9bc7c59-4
0.415
PET-UNK-022eab87-1
0.415