Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccc(NS(C)(=O)=O)cc23)CS(=O)(=O)Cc2ccc(Cl)cc21 |
MW: | 509.05 |
Fraction sp3: | 0.24 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 131.53 |
cLogP: | 2.67 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-b566c0b0-2
0.758
PET-UNK-1b92fa34-6
0.742
PET-UNK-329a9ce9-6
0.727
PET-UNK-329a9ce9-7
0.710
PET-UNK-1b92fa34-5
0.695
PET-UNK-b566c0b0-6
0.670
EDG-MED-10fcb19e-1
0.657
PET-UNK-b566c0b0-3
0.644
PET-UNK-b566c0b0-5
0.643
PET-UNK-329a9ce9-8
0.636
PET-UNK-b566c0b0-4
0.624
PET-UNK-b566c0b0-1
0.618
PET-UNK-81b485b5-9
0.602
PET-UNK-81b485b5-23
0.602
PET-UNK-c761fc18-8
0.573
PET-UNK-1b92fa34-8
0.571
PET-UNK-c761fc18-4
0.562
PET-UNK-0d6841fa-6
0.560
PET-UNK-0d6841fa-7
0.556
PET-UNK-329a9ce9-1
0.532
PET-UNK-1b92fa34-7
0.514
EDJ-MED-923a35c2-5
0.509
EDJ-MED-841e0cf0-3
0.509
EDJ-MED-670ad2ee-3
0.509
FRA-DIA-6238d354-1
0.500
EDJ-MED-923a35c2-1
0.500
EDG-MED-10fcb19e-2
0.496
PET-UNK-b78139fa-16
0.491
EDJ-MED-611d11e7-1
0.486
MAT-POS-96f51285-2
0.486
PET-UNK-a7639856-1
0.482
PET-UNK-b566c0b0-8
0.478
EDJ-MED-d9f3798e-3
0.478
PET-UNK-9bf1291a-1
0.477
ALP-POS-5290f14d-1
0.477
MIC-UNK-ea4eb352-2
0.477
PET-UNK-6e612674-4
0.470
PET-UNK-6e612674-12
0.470
PET-UNK-9bf1291a-2
0.468
PET-UNK-ee8352fa-1
0.464
EDJ-MED-611d11e7-4
0.464
MAT-POS-a5ef2d74-2
0.464
MAT-POS-ec6d90b7-4
0.464
ALF-EVA-82cf4849-8
0.461
PET-UNK-a7639856-2
0.461
EDJ-MED-d9f3798e-2
0.461
PET-UNK-f4e47ebd-25
0.460
PET-UNK-6e612674-8
0.458
PET-UNK-6e612674-16
0.458
MAT-POS-90fd5f68-30
0.457
EDG-MED-10fcb19e-3
0.457
PET-UNK-022eab87-2
0.454
PET-UNK-bcc8fd08-5
0.453
EDJ-MED-d9f3798e-1
0.452
ALP-POS-93b3621f-3
0.452
MAT-POS-24589f88-1
0.451
MAT-POS-96f51285-1
0.451
EDJ-MED-611d11e7-7
0.451
PET-UNK-407a74a5-7
0.450
PET-UNK-88d26eaf-1
0.448
EDJ-MED-cf877e1d-2
0.448
PET-UNK-c0891748-3
0.446
ALF-EVA-82cf4849-4
0.446
PET-UNK-c0891748-9
0.446
PET-UNK-03fd2068-10
0.444
ALF-EVA-82cf4849-11
0.444
PET-UNK-9bf1291a-4
0.444
PET-UNK-09a29654-4
0.442
ALF-EVA-82cf4849-13
0.441
PET-UNK-c65ea24c-1
0.441
PET-UNK-b38839dc-23
0.441
PET-UNK-ad758083-1
0.441
PET-UNK-81b485b5-12
0.441
PET-UNK-81b485b5-26
0.441
PET-UNK-b38839dc-22
0.441
PET-UNK-f4e47ebd-26
0.441
PET-UNK-9bf1291a-3
0.438
PET-UNK-0d6841fa-1
0.437
PET-UNK-757f8bc8-3
0.437
PET-UNK-b78139fa-17
0.436
PET-UNK-f4e47ebd-27
0.436
PET-UNK-f4e47ebd-24
0.435
PET-UNK-81b485b5-11
0.434
MAT-POS-2e8b2191-10
0.434
PET-UNK-81b485b5-25
0.434
PET-UNK-e9bc7c59-7
0.433
ALF-EVA-82cf4849-12
0.433
PET-UNK-757f8bc8-4
0.433
PET-UNK-b78139fa-15
0.432
EDJ-MED-c4e42105-4
0.432
PET-UNK-4b4f2bb7-6
0.430
PET-UNK-09a29654-5
0.430
MAT-POS-2e8b2191-9
0.429
MAT-POS-e36d57d9-1
0.429
PET-UNK-29afea89-2
0.429
EDJ-MED-d08626de-2
0.429
EDG-MED-0e5afe9d-3
0.429
PET-UNK-407a74a5-2
0.429
EDJ-MED-378a25ea-26
0.429
EDJ-MED-d08626de-1
0.429