Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc2cncc(NC(=O)C3CN(S(C)(=O)=O)Cc4cc(F)c(Cl)cc43)c2c1 |
MW: | 511.04 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 113.51 |
cLogP: | 2.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-923a35c2-2
MAT-POS-64942dd0-2
0.800
PET-UNK-03fd2068-5
0.800
MAT-POS-64942dd0-3
0.731
FRA-DIA-6238d354-2
0.720
PET-UNK-f4e47ebd-13
0.716
PET-UNK-f4e47ebd-14
0.695
PET-UNK-03fd2068-6
0.680
PET-UNK-f4e47ebd-15
0.670
EDJ-MED-1b5395f9-5
0.649
EDJ-MED-1b5395f9-6
0.649
EDJ-MED-1b5395f9-4
0.649
PET-UNK-f4e47ebd-16
0.637
BEN-DND-a02b439d-11
0.633
EDJ-MED-ce467fd5-2
0.604
EDJ-MED-1b5395f9-1
0.598
EDJ-MED-1b5395f9-2
0.598
EDJ-MED-1b5395f9-3
0.598
EDJ-MED-cf877e1d-1
0.592
PET-UNK-03fd2068-3
0.590
MAT-POS-96f51285-4
0.584
EDJ-MED-611d11e7-3
0.584
EDJ-MED-923a35c2-3
0.562
EDJ-MED-378a25ea-10
0.549
EDJ-MED-923a35c2-2
0.536
BEN-DND-a02b439d-10
0.534
PET-UNK-9b23ef84-3
0.529
EDJ-MED-827e7cb4-2
0.528
EDJ-MED-611d11e7-2
0.514
ALP-UNI-8d415491-5
0.514
MAT-POS-24589f88-3
0.510
MAT-POS-dd3ad2b5-4
0.510
MAT-POS-24589f88-2
0.510
EDJ-MED-670ad2ee-4
0.509
EDJ-MED-841e0cf0-4
0.509
ALP-POS-e6e0c683-4
0.505
PET-UNK-1e13ef09-2
0.505
EDJ-MED-ce467fd5-4
0.504
EDJ-MED-670ad2ee-10
0.500
EDJ-MED-841e0cf0-7
0.500
EDJ-MED-670ad2ee-9
0.500
PET-UNK-f4e47ebd-9
0.500
EDJ-MED-827e7cb4-3
0.500
PET-UNK-b38839dc-7
0.500
EDJ-MED-ce467fd5-1
0.500
BEN-DND-c852c98b-5
0.495
ERI-UCB-8d4e5055-4
0.495
PET-UNK-b38839dc-8
0.491
PET-UNK-03fd2068-4
0.491
EDJ-MED-841e0cf0-6
0.482
EDJ-MED-670ad2ee-8
0.482
EDJ-MED-670ad2ee-7
0.482
EDJ-MED-93390d0c-1
0.481
EDJ-MED-827e7cb4-1
0.481
PET-UNK-f4e47ebd-10
0.481
PET-UNK-f4e47ebd-11
0.477
EDJ-MED-827e7cb4-4
0.477
EDJ-MED-378a25ea-12
0.475
MAT-POS-81ae2990-3
0.474
FRA-DIA-6238d354-1
0.473
EDJ-MED-923a35c2-1
0.473
EDJ-MED-670ad2ee-6
0.473
EDJ-MED-670ad2ee-5
0.473
EDJ-MED-841e0cf0-5
0.473
MAT-POS-1a13cd81-1
0.468
EDJ-MED-827e7cb4-9
0.467
PET-UNK-9b23ef84-7
0.466
PET-UNK-9b23ef84-15
0.466
PET-UNK-9b23ef84-10
0.466
PET-UNK-1b92fa34-4
0.463
PET-UNK-b38839dc-6
0.463
PET-UNK-f4e47ebd-12
0.455
EDJ-MED-d1555997-1
0.455
TET-ENA-9b1de71a-1
0.455
PET-UNK-b1ef24dc-27
0.450
PET-UNK-7f7e354d-4
0.445
EDJ-MED-946e547c-1
0.443
MAT-POS-81ae2990-6
0.438
EDJ-MED-93390d0c-4
0.435
EDJ-MED-923a35c2-4
0.434
MAT-POS-81ae2990-9
0.433
MAT-POS-b4d6b7fc-9
0.433
RAL-THA-b9d6aec1-3
0.432
PET-UNK-e274cad4-3
0.432
PET-UNK-b1ef24dc-28
0.432
MAT-POS-4223bc15-1
0.429
ROB-CAM-4c532489-1
0.429
MAT-POS-edabd372-1
0.429
PET-UNK-e274cad4-8
0.427
MAT-POS-c88128cb-1
0.425
RAL-THA-b9d6aec1-2
0.425
PET-UNK-b1ef24dc-25
0.423
EDJ-MED-d1555997-2
0.423
EDJ-MED-611d11e7-6
0.422
MAT-POS-96f51285-5
0.422
MAT-POS-ec6d90b7-7
0.422
MAT-POS-edabd372-2
0.421
PET-UNK-b1ef24dc-26
0.420
EDJ-MED-009f762b-5
0.419
PET-UNK-03fd2068-10
0.419
EDJ-MED-378a25ea-34
0.419