Molecular Properties | |
SMILES: | Cn1ncc2cncc(NC(=O)[C@@H]3CS(=O)(=O)Cc4ccc(Cl)cc43)c21 |
MW: | 390.06 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 93.95 |
cLogP: | 2.27 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
PET-UNK-e274cad4-10
0.724
PET-UNK-b78139fa-1
0.637
PET-UNK-e274cad4-3
0.611
PET-UNK-b1ef24dc-17
0.602
PET-UNK-1b92fa34-1
0.591
PET-UNK-1e13ef09-5
0.591
PET-UNK-b1ef24dc-18
0.585
PET-UNK-1e13ef09-1
0.583
ALP-POS-e6e0c683-4
0.582
PET-UNK-1e13ef09-2
0.582
PET-UNK-1b92fa34-2
0.579
PET-UNK-1e13ef09-6
0.579
PET-UNK-1e13ef09-3
0.576
PET-UNK-2c6614b6-1
0.567
PET-UNK-329a9ce9-4
0.563
PET-UNK-7279c968-1
0.562
PET-UNK-e274cad4-4
0.562
PET-UNK-1e13ef09-4
0.560
PET-UNK-329a9ce9-2
0.559
PET-UNK-329a9ce9-3
0.553
PET-UNK-329a9ce9-1
0.549
PET-UNK-e274cad4-2
0.546
PET-UNK-19e211a9-1
0.537
MAT-POS-bfd29aac-1
0.537
PET-UNK-b1ef24dc-19
0.531
PET-UNK-b1ef24dc-20
0.531
PET-UNK-c761fc18-4
0.505
PET-UNK-b78139fa-4
0.441
PET-UNK-b78139fa-10
0.438
PET-UNK-e274cad4-1
0.427
RUB-POS-1325a9ea-14
0.427
MAT-POS-1a13cd81-1
0.426
PET-UNK-e274cad4-8
0.425
PET-UNK-c761fc18-2
0.423
PET-UNK-4b4f2bb7-1
0.422
PET-UNK-c761fc18-1
0.417
PET-UNK-1b92fa34-4
0.407
PET-UNK-f9b7ae87-1
0.405
PET-UNK-c761fc18-3
0.400
PET-UNK-1b92fa34-3
0.398
PET-UNK-81b485b5-3
0.393
PET-UNK-81b485b5-17
0.393
BEN-DND-f2e727cd-6
0.393
PET-UNK-e274cad4-9
0.393
MAT-POS-dd3ad2b5-1
0.393
PET-UNK-2c6614b6-4
0.389
PET-UNK-e274cad4-7
0.370
MAT-POS-dd3ad2b5-5
0.363
PET-UNK-b1ef24dc-25
0.357
EDJ-MED-d1555997-2
0.357
PET-UNK-b1ef24dc-33
0.357
MAT-POS-c88128cb-2
0.357
EDJ-MED-0186a59b-4
0.356
EDJ-MED-ede277f6-11
0.355
PET-UNK-b1ef24dc-26
0.354
PET-UNK-b1ef24dc-34
0.354
PET-UNK-c761fc18-8
0.354
ALP-POS-07e1ed01-2
0.352
PET-UNK-b1ef24dc-21
0.352
PET-UNK-b1ef24dc-22
0.352
EDJ-MED-d1555997-1
0.351
FRA-DIA-6238d354-2
0.351
ROB-CAM-4c532489-1
0.351
PET-UNK-b78139fa-6
0.349
RAL-THA-6e4c80cf-1
0.348
MAT-POS-4223bc15-19
0.348
PET-UNK-f4e47ebd-10
0.348
MAT-POS-24589f88-2
0.348
PET-UNK-9b23ef84-2
0.348
MAT-POS-dd3ad2b5-2
0.348
MAT-POS-24589f88-3
0.348
MAT-POS-dd3ad2b5-4
0.348
MAT-POS-4223bc15-27
0.348
PET-UNK-03fd2068-4
0.348
PET-UNK-d61f3ea6-2
0.348
EDJ-MED-12c4873b-3
0.348
EDJ-MED-12c4873b-1
0.347
MAT-POS-4223bc15-40
0.347
MAT-POS-81ae2990-4
0.347
PET-UNK-022eab87-1
0.346
PET-UNK-b78139fa-9
0.346
PET-UNK-b78139fa-5
0.345
PET-UNK-b1ef24dc-29
0.345
MAT-UNK-04ae9652-1
0.345
EDJ-MED-4fff0a85-4
0.344
MAT-POS-bf364d7a-3
0.344
MAT-POS-bf364d7a-4
0.344
PET-UNK-b78139fa-2
0.342
MAT-POS-4223bc15-18
0.342
PET-UNK-f4e47ebd-9
0.342
PET-UNK-03fd2068-3
0.342
PET-UNK-b1ef24dc-30
0.342
MIC-UNK-482af05e-1
0.342
MAT-POS-4223bc15-22
0.342
PET-UNK-d61f3ea6-3
0.342
EDJ-MED-ede277f6-5
0.341
MAT-POS-81ae2990-1
0.341
MAT-POS-666635d5-2
0.341
MAT-POS-83f73d0a-1
0.341
MAT-POS-d8472c4f-5
0.339