Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cc(F)c(NS(C)(=O)=O)cc23)CS(=O)(=O)Cc2ccc(Cl)cc21 |
MW: | 527.04 |
Fraction sp3: | 0.24 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 131.53 |
cLogP: | 2.81 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-329a9ce9-8
0.725
PET-UNK-329a9ce9-5
0.710
PET-UNK-1b92fa34-6
0.698
PET-UNK-b566c0b0-2
0.697
PET-UNK-b566c0b0-1
0.677
PET-UNK-a7639856-2
0.673
PET-UNK-329a9ce9-6
0.654
PET-UNK-1b92fa34-5
0.653
PET-UNK-b566c0b0-4
0.650
PET-UNK-b566c0b0-6
0.646
PET-UNK-b566c0b0-3
0.637
PET-UNK-b566c0b0-5
0.636
PET-UNK-09a29654-5
0.626
PET-UNK-81b485b5-10
0.623
PET-UNK-81b485b5-24
0.623
PET-UNK-e9bc7c59-8
0.611
PET-UNK-e9bc7c59-11
0.591
PET-UNK-c761fc18-4
0.571
PET-UNK-c761fc18-8
0.567
PET-UNK-329a9ce9-3
0.545
PET-UNK-1b92fa34-8
0.537
PET-UNK-0d6841fa-6
0.527
PET-UNK-0d6841fa-7
0.523
PET-UNK-b78139fa-15
0.509
PET-UNK-1b92fa34-7
0.509
PET-UNK-b38839dc-22
0.500
PET-UNK-a7639856-3
0.500
PET-UNK-b38839dc-19
0.495
PET-UNK-ee8352fa-2
0.491
EDG-MED-10fcb19e-1
0.478
PET-UNK-09a29654-2
0.478
EDG-MED-10fcb19e-2
0.478
PET-UNK-b38839dc-25
0.475
EDJ-MED-611d11e7-1
0.469
MAT-POS-96f51285-2
0.469
EDJ-MED-923a35c2-5
0.465
EDJ-MED-841e0cf0-3
0.465
EDJ-MED-670ad2ee-3
0.465
MAT-POS-a5ef2d74-2
0.459
MAT-POS-ec6d90b7-4
0.459
EDJ-MED-611d11e7-4
0.459
PET-UNK-b78139fa-16
0.459
PET-UNK-e9bc7c59-2
0.457
PET-UNK-03fd2068-9
0.453
PET-UNK-a7639856-1
0.453
PET-UNK-81b485b5-9
0.450
PET-UNK-81b485b5-23
0.450
PET-UNK-b38839dc-23
0.449
PET-UNK-c65ea24c-1
0.449
PET-UNK-5d7c542f-1
0.447
ALP-POS-6f6ae286-3
0.447
PET-UNK-4b4f2bb7-7
0.447
PET-UNK-b78139fa-14
0.446
PET-UNK-407a74a5-17
0.446
FRA-DIA-6238d354-1
0.444
EDJ-MED-923a35c2-1
0.444
ALF-EVA-82cf4849-8
0.444
PET-UNK-f4e47ebd-27
0.444
PET-UNK-b38839dc-20
0.443
EDG-MED-10fcb19e-3
0.441
EDJ-MED-6bf93aa8-1
0.441
PET-UNK-e9bc7c59-5
0.441
PET-UNK-5d7c542f-2
0.440
PET-UNK-81b485b5-21
0.440
PET-UNK-81b485b5-7
0.440
PET-UNK-09a29654-6
0.439
PET-UNK-b566c0b0-8
0.437
PET-UNK-81b485b5-12
0.437
PET-UNK-81b485b5-26
0.437
EDJ-MED-1b46f08e-1
0.437
MIC-UNK-7f86385f-1
0.437
PET-UNK-ee8352fa-1
0.435
MIC-UNK-ea4eb352-2
0.435
ALP-POS-5290f14d-1
0.435
PET-UNK-f4e47ebd-19
0.435
PET-UNK-9bf1291a-1
0.435
PET-UNK-b78139fa-12
0.434
PET-UNK-407a74a5-7
0.432
PET-UNK-81b485b5-22
0.432
PET-UNK-81b485b5-8
0.432
PET-UNK-f4e47ebd-25
0.431
MIC-UNK-7f86385f-2
0.430
ALF-EVA-82cf4849-11
0.429
PET-UNK-7bb24635-2
0.429
PET-UNK-6e612674-4
0.429
PET-UNK-6e612674-12
0.429
PET-UNK-e9bc7c59-9
0.427
PET-UNK-ee8352fa-3
0.427
PET-UNK-b566c0b0-9
0.426
PET-UNK-9bf1291a-2
0.426
PET-UNK-f4e47ebd-26
0.425
EDJ-MED-d08626de-2
0.425
PET-UNK-29afea89-2
0.425
EDG-MED-0e5afe9d-3
0.425
EDJ-MED-d08626de-1
0.425
PET-UNK-f9b7ae87-8
0.424
PET-UNK-b38839dc-28
0.424
ALP-POS-93b3621f-3
0.424
ALP-POS-93b3621f-4
0.424
PET-UNK-022eab87-2
0.423