Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cc(F)c(N(C)S(C)(=O)=O)cc23)CS(=O)(=O)Cc2ccc(Cl)cc21 |
MW: | 541.05 |
Fraction sp3: | 0.27 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 122.74 |
cLogP: | 2.83 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-329a9ce9-7
0.725
PET-UNK-329a9ce9-6
0.725
PET-UNK-a7639856-3
0.679
PET-UNK-1b92fa34-6
0.670
PET-UNK-b566c0b0-2
0.654
PET-UNK-b566c0b0-1
0.650
PET-UNK-329a9ce9-5
0.636
PET-UNK-09a29654-6
0.631
PET-UNK-1b92fa34-5
0.627
PET-UNK-b566c0b0-4
0.625
PET-UNK-e9bc7c59-9
0.616
PET-UNK-b566c0b0-3
0.613
PET-UNK-b566c0b0-5
0.612
PET-UNK-b566c0b0-6
0.606
PET-UNK-e9bc7c59-12
0.596
PET-UNK-c761fc18-4
0.565
PET-UNK-329a9ce9-4
0.562
PET-UNK-c761fc18-8
0.561
PET-UNK-ee8352fa-2
0.541
PET-UNK-1b92fa34-8
0.518
PET-UNK-0d6841fa-6
0.509
PET-UNK-0d6841fa-7
0.504
PET-UNK-7bb24635-2
0.500
PET-UNK-a7639856-2
0.491
PET-UNK-f9b7ae87-9
0.491
PET-UNK-81b485b5-8
0.491
PET-UNK-81b485b5-22
0.491
PET-UNK-1b92fa34-7
0.491
PET-UNK-b78139fa-15
0.491
PET-UNK-09a29654-3
0.487
PET-UNK-a7639856-1
0.487
PET-UNK-b38839dc-25
0.483
PET-UNK-b38839dc-22
0.483
PET-UNK-e9bc7c59-3
0.475
PET-UNK-b38839dc-19
0.466
PET-UNK-81b485b5-11
0.463
PET-UNK-81b485b5-25
0.463
PET-UNK-e9bc7c59-6
0.455
EDJ-MED-923a35c2-5
0.449
EDJ-MED-670ad2ee-3
0.449
EDJ-MED-841e0cf0-3
0.449
PET-UNK-09a29654-4
0.447
PET-UNK-09a29654-5
0.447
PET-UNK-b566c0b0-8
0.446
PET-UNK-81b485b5-10
0.443
PET-UNK-81b485b5-24
0.443
PET-UNK-b78139fa-16
0.442
PET-UNK-e9bc7c59-7
0.439
PET-UNK-03fd2068-9
0.438
PET-UNK-9bf1291a-2
0.436
PET-UNK-e9bc7c59-8
0.435
PET-UNK-b566c0b0-9
0.435
PET-UNK-c65ea24c-1
0.434
PET-UNK-b38839dc-23
0.434
PET-UNK-4b4f2bb7-7
0.432
PET-UNK-b38839dc-26
0.432
PET-UNK-c65ea24c-7
0.432
MAT-POS-a5ef2d74-2
0.431
PET-UNK-407a74a5-17
0.431
PET-UNK-b78139fa-14
0.431
EDJ-MED-611d11e7-4
0.431
MAT-POS-ec6d90b7-4
0.431
PET-UNK-f4e47ebd-27
0.430
EDJ-MED-611d11e7-1
0.429
MAT-POS-96f51285-2
0.429
EDJ-MED-211392e3-3
0.427
PET-UNK-e9bc7c59-10
0.421
PET-UNK-e9bc7c59-11
0.421
PET-UNK-ee8352fa-1
0.420
ALP-POS-6f6ae286-3
0.420
PET-UNK-5d7c542f-1
0.420
PET-UNK-9bf1291a-1
0.420
MIC-UNK-ea4eb352-2
0.420
ALP-POS-5290f14d-1
0.420
PET-UNK-b78139fa-12
0.419
PET-UNK-88d26eaf-1
0.418
EDJ-MED-cf877e1d-2
0.418
PET-UNK-c65ea24c-13
0.418
FRA-DIA-6238d354-1
0.418
EDJ-MED-923a35c2-1
0.418
PET-UNK-407a74a5-7
0.417
PET-UNK-b38839dc-20
0.417
PET-UNK-757f8bc8-4
0.416
PET-UNK-c0891748-9
0.415
PET-UNK-c0891748-3
0.415
EDG-MED-10fcb19e-1
0.415
EDG-MED-10fcb19e-2
0.415
PET-UNK-ee8352fa-3
0.413
PET-UNK-81b485b5-21
0.413
PET-UNK-81b485b5-7
0.413
PET-UNK-5d7c542f-2
0.413
PET-UNK-f4e47ebd-26
0.411
EDJ-MED-1b46f08e-1
0.411
PET-UNK-f9b7ae87-8
0.410
PET-UNK-b38839dc-28
0.410
PET-UNK-6da3dcd8-15
0.409
PET-UNK-022eab87-2
0.409
PET-UNK-f4e47ebd-19
0.408
PET-UNK-9bf1291a-3
0.407
PET-UNK-329a9ce9-2
0.407