Molecular Properties | |
SMILES: | CS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)c1 |
MW: | 529.05 |
Fraction sp3: | 0.08 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 122.3 |
cLogP: | 4.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MIC-UNK-df9dcda8-1
0.729
MIC-UNK-df9dcda8-3
0.663
MIC-UNK-37660950-1
0.660
MIC-UNK-df9dcda8-4
0.640
MIC-UNK-37660950-2
0.619
MIC-UNK-06e5f114-2
0.578
MIC-UNK-e8d6fb58-4
0.571
MIC-UNK-df9dcda8-2
0.562
RAL-THA-2d450e86-27
0.562
MIC-UNK-e8d6fb58-3
0.557
ALP-POS-6479a3a9-2
0.552
MIC-UNK-37660950-4
0.547
MIC-UNK-37660950-3
0.546
MIC-UNK-06e5f114-1
0.545
RAL-THA-2d450e86-25
0.544
PET-UNK-dd44aeb6-1
0.544
RAL-THA-2d450e86-24
0.544
PET-UNK-dd44aeb6-2
0.544
ALP-POS-df536be7-6
0.541
MAT-POS-bbbbc21a-1
0.532
MAT-POS-3b92565d-1
0.532
RAL-THA-2d450e86-29
0.532
BEN-DND-d1eb1f41-4
0.532
BEN-DND-d1eb1f41-6
0.526
ALP-POS-d7944b10-7
0.520
PET-UNK-dd44aeb6-3
0.516
RAL-THA-2d450e86-28
0.516
NAU-LAT-2fed8305-9
0.511
ALP-POS-d7944b10-15
0.509
ALP-POS-d7944b10-18
0.509
ALP-POS-df536be7-5
0.505
ALP-POS-d7944b10-12
0.500
ALP-POS-d7944b10-16
0.495
ALP-POS-d7944b10-1
0.495
ALP-POS-6479a3a9-3
0.495
ALP-POS-d7944b10-2
0.495
RAL-THA-1d44ff04-11
0.495
RAL-THA-1d44ff04-9
0.495
RAL-THA-2d450e86-22
0.495
ADA-UCB-6c2cb422-1
0.495
ALP-POS-d7944b10-6
0.486
ALP-POS-d7944b10-17
0.486
MAK-UNK-c749d764-32
0.484
ALP-POS-d7944b10-14
0.481
ALP-POS-df536be7-1
0.480
RAL-THA-1d44ff04-10
0.480
MAT-POS-afd4d4fd-1
0.479
RAL-THA-2d450e86-20
0.479
RAL-THA-2d450e86-2
0.478
RAL-THA-2d450e86-36
0.478
MIC-UNK-06e5f114-4
0.477
ALP-POS-d7944b10-5
0.477
MIC-UNK-06e5f114-3
0.474
MAT-POS-afd4d4fd-3
0.473
RAL-THA-2d450e86-34
0.473
ALP-POS-d7944b10-13
0.473
MAT-POS-fce787c2-2
0.473
RAL-THA-2d450e86-30
0.473
PET-UNK-bb7ffe78-1
0.469
RAL-THA-2d450e86-26
0.468
RAL-THA-1d44ff04-6
0.465
RAL-THA-2d450e86-19
0.463
RAL-THA-2d450e86-33
0.462
RAL-THA-2d450e86-38
0.462
RAL-THA-2d450e86-37
0.462
MAK-UNK-919546f0-4
0.461
ALP-POS-d7944b10-4
0.460
RAL-THA-1d44ff04-3
0.460
ALP-POS-6479a3a9-1
0.459
ALP-POS-d7944b10-3
0.459
ALP-POS-d7944b10-10
0.459
RAL-THA-2d450e86-15
0.458
PET-UNK-3c72d439-1
0.458
RAL-THA-2d450e86-6
0.458
ALP-POS-bb8a3193-6
0.456
MAT-POS-fce787c2-1
0.455
PET-UNK-bb7ffe78-3
0.455
EDJ-MED-50011917-3
0.454
ALP-POS-f13221e1-2
0.454
RAL-THA-2d450e86-23
0.453
NAU-LAT-2fed8305-5
0.453
ALP-POS-d054b76b-5
0.451
NAU-LAT-30527ac5-1
0.451
RAL-THA-2d450e86-3
0.451
ALP-POS-d7944b10-8
0.450
RAL-THA-2d450e86-21
0.449
ALP-POS-f13221e1-3
0.448
MAT-POS-23a8a11a-1
0.447
RAL-THA-1d44ff04-5
0.446
RAL-THA-1d44ff04-4
0.444
MAT-POS-3b92565d-2
0.444
ALP-POS-3b848b35-1
0.444
RAL-THA-2d450e86-18
0.444
RAL-THA-2d450e86-11
0.443
RAL-THA-2d450e86-9
0.443
RAL-THA-2d450e86-8
0.443
RAL-THA-2d450e86-14
0.443
MAK-UNK-c749d764-11
0.443
MAT-POS-bbbbc21a-3
0.442
MAT-POS-afd4d4fd-2
0.442