Molecular Properties | |
SMILES: | CS(=O)(=O)c1cccc(CN(c2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)S(C)(=O)=O)c1 |
MW: | 557.08 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 113.51 |
cLogP: | 4.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MIC-UNK-e7433122-1
MIC-UNK-df9dcda8-2
0.649
MIC-UNK-37660950-1
0.627
MIC-UNK-e8d6fb58-3
0.604
MIC-UNK-e7433122-1
0.571
ALP-POS-df536be7-6
0.560
MIC-UNK-06e5f114-2
0.551
MIC-UNK-df9dcda8-1
0.551
MIC-UNK-37660950-2
0.543
RAL-THA-2d450e86-27
0.532
RAL-THA-2d450e86-25
0.532
PET-UNK-dd44aeb6-1
0.532
BEN-DND-d1eb1f41-6
0.531
ALP-POS-6479a3a9-2
0.525
ALP-POS-d7944b10-7
0.524
MAT-POS-bbbbc21a-1
0.520
RAL-THA-2d450e86-29
0.520
MAT-POS-3b92565d-1
0.520
MIC-UNK-06e5f114-1
0.519
ADA-UCB-6c2cb422-1
0.516
RAL-THA-2d450e86-24
0.516
PET-UNK-dd44aeb6-2
0.516
RAL-THA-1d44ff04-11
0.515
MIC-UNK-df9dcda8-4
0.510
BEN-DND-d1eb1f41-4
0.505
RAL-THA-2d450e86-22
0.500
RAL-THA-1d44ff04-10
0.500
MIC-UNK-df9dcda8-3
0.495
ALP-POS-d7944b10-6
0.491
PET-UNK-dd44aeb6-3
0.490
RAL-THA-2d450e86-28
0.490
ALP-POS-d7944b10-15
0.486
ALP-POS-d7944b10-2
0.486
RAL-THA-1d44ff04-9
0.485
RAL-THA-2d450e86-2
0.484
MIC-UNK-37660950-4
0.482
ALP-POS-d7944b10-5
0.482
ALP-POS-df536be7-5
0.480
RAL-THA-2d450e86-30
0.479
MAT-POS-fce787c2-2
0.479
MAT-POS-fce787c2-1
0.475
ALP-POS-bb8a3193-6
0.474
ALP-POS-6479a3a9-3
0.472
ALP-POS-d7944b10-1
0.472
MIC-UNK-06e5f114-4
0.470
ALP-POS-d7944b10-13
0.465
RAL-THA-2d450e86-14
0.465
RAL-THA-2d450e86-6
0.465
RAL-THA-2d450e86-9
0.465
RAL-THA-2d450e86-15
0.465
ALP-POS-d7944b10-12
0.464
ALP-POS-d7944b10-17
0.464
ALP-POS-d7944b10-14
0.460
PET-UNK-bb7ffe78-1
0.460
RAL-THA-2d450e86-26
0.459
ALP-POS-d7944b10-16
0.459
MIC-UNK-37660950-3
0.458
RAL-THA-2d450e86-3
0.457
RAL-THA-1d44ff04-6
0.457
RAL-THA-2d450e86-19
0.455
ALP-POS-f13221e1-3
0.455
MAT-POS-afd4d4fd-1
0.455
RAL-THA-2d450e86-20
0.455
NAU-LAT-2fed8305-9
0.454
RAL-THA-2d450e86-10
0.454
ALP-POS-d7944b10-4
0.453
RAL-THA-2d450e86-36
0.453
RAL-THA-2d450e86-37
0.453
RAL-THA-2d450e86-38
0.453
ALP-POS-6479a3a9-1
0.452
ALP-POS-d7944b10-3
0.452
PET-UNK-8c422e11-1
0.452
RAL-THA-1d44ff04-3
0.452
RAL-THA-1d44ff04-5
0.452
ALP-POS-d7944b10-10
0.451
RAL-THA-1d44ff04-4
0.451
ALP-POS-3b848b35-1
0.451
MAT-POS-3b92565d-2
0.451
RAL-THA-2d450e86-18
0.451
PET-UNK-3c72d439-1
0.450
RAL-THA-2d450e86-13
0.449
MAT-POS-afd4d4fd-3
0.449
VLA-UNK-b9c208fe-2
0.449
PET-UNK-8c422e11-4
0.449
ALP-POS-d7944b10-18
0.448
MIC-UNK-16ccb665-3
0.447
PET-UNK-bb7ffe78-3
0.447
EDJ-MED-50011917-3
0.446
MAK-UNK-c749d764-32
0.446
VLA-UNK-9a7dc93f-1
0.446
ALP-POS-df536be7-1
0.444
RAL-THA-2d450e86-23
0.444
MAT-POS-281d2ee9-1
0.443
ALP-POS-d7944b10-8
0.442
RAL-THA-1d44ff04-13
0.442
MIC-UNK-06e5f114-3
0.442
RAL-THA-2d450e86-1
0.441
MAT-POS-23a8a11a-1
0.439
RAL-THA-2d450e86-33
0.439
LON-WEI-9739a092-4
0.439
MAK-UNK-919546f0-4
0.436