Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc(NCc2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)cc1 |
MW: | 479.11 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 88.16 |
cLogP: | 5.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
LON-WEI-9739a092-9
MIC-UNK-06e5f114-2
0.784
ALP-POS-6479a3a9-2
0.726
BEN-DND-d1eb1f41-4
0.707
ALP-POS-df536be7-6
0.670
ALP-POS-d7944b10-7
0.659
ALP-POS-d7944b10-17
0.652
ALP-POS-d7944b10-2
0.652
ALP-POS-d7944b10-15
0.642
BEN-DND-d1eb1f41-6
0.640
ALP-POS-d7944b10-12
0.634
MIC-UNK-06e5f114-4
0.633
ALP-POS-d7944b10-6
0.632
ALP-POS-d7944b10-13
0.629
MIC-UNK-37660950-2
0.628
ALP-POS-d7944b10-5
0.619
ALP-POS-d7944b10-14
0.608
MIC-UNK-06e5f114-3
0.608
ALP-POS-d7944b10-18
0.606
ALP-POS-d7944b10-10
0.598
ALP-POS-6479a3a9-1
0.596
ALP-POS-d7944b10-3
0.596
ALP-POS-d7944b10-4
0.594
MIC-UNK-df9dcda8-1
0.589
RAL-THA-2d450e86-27
0.588
ALP-POS-d7944b10-8
0.588
ALP-POS-d054b76b-5
0.584
MAT-POS-3b92565d-1
0.573
MAT-POS-bbbbc21a-1
0.573
RAL-THA-2d450e86-29
0.573
MIC-UNK-df9dcda8-2
0.570
PET-UNK-dd44aeb6-1
0.570
RAL-THA-2d450e86-25
0.570
PET-UNK-dd44aeb6-2
0.570
RAL-THA-2d450e86-24
0.570
ALP-POS-df536be7-5
0.560
MIC-UNK-df9dcda8-4
0.560
ALP-POS-bb8a3193-6
0.558
ALP-POS-d7944b10-9
0.557
MIC-UNK-37660950-1
0.554
ALP-POS-d7944b10-11
0.551
MIC-UNK-e7433122-1
0.545
MIC-UNK-df9dcda8-3
0.544
RAL-THA-2d450e86-28
0.538
PET-UNK-dd44aeb6-3
0.538
MIC-UNK-e8d6fb58-4
0.519
MIC-UNK-e8d6fb58-3
0.519
ALP-POS-6479a3a9-3
0.515
ALP-POS-d7944b10-1
0.515
ALP-POS-d7944b10-16
0.515
RAL-THA-2d450e86-30
0.512
MAT-POS-fce787c2-2
0.512
MIC-UNK-37660950-4
0.509
RAL-THA-2d450e86-20
0.500
ADA-UCB-6c2cb422-1
0.500
MAT-POS-afd4d4fd-1
0.500
RAL-THA-1d44ff04-9
0.500
RAL-THA-1d44ff04-10
0.500
RAL-THA-1d44ff04-11
0.500
RAL-THA-2d450e86-33
0.500
RAL-THA-2d450e86-36
0.500
RAL-THA-2d450e86-2
0.500
MIC-UNK-37660950-3
0.495
ALP-POS-6479a3a9-4
0.491
MIC-UNK-16ccb665-3
0.489
RAL-THA-2d450e86-26
0.489
RAL-THA-2d450e86-21
0.484
RAL-THA-2d450e86-22
0.484
NAU-LAT-2fed8305-9
0.483
RAL-THA-2d450e86-37
0.483
RAL-THA-2d450e86-38
0.483
MAK-UNK-919546f0-4
0.482
MAT-POS-3b92565d-2
0.479
ALP-POS-3b848b35-1
0.479
RAL-THA-2d450e86-18
0.479
PET-UNK-3c72d439-1
0.478
RAL-THA-2d450e86-6
0.478
RAL-THA-2d450e86-15
0.478
RAL-THA-2d450e86-39
0.478
MAT-POS-afd4d4fd-2
0.478
MAT-POS-afd4d4fd-3
0.478
RAL-THA-2d450e86-34
0.478
PET-UNK-bb7ffe78-3
0.474
PET-UNK-bb7ffe78-1
0.473
NAU-LAT-2fed8305-5
0.473
EDJ-MED-50011917-3
0.471
RAL-THA-2d450e86-1
0.471
ALP-POS-df536be7-1
0.470
RAL-THA-1d44ff04-6
0.469
NAU-LAT-30527ac5-1
0.469
MAT-POS-281d2ee9-1
0.469
RAL-THA-2d450e86-19
0.467
MAT-POS-23a8a11a-1
0.467
PET-UNK-8c422e11-1
0.464
RAL-THA-1d44ff04-3
0.464
RAL-THA-2d450e86-14
0.462
RAL-THA-2d450e86-9
0.462
MAK-UNK-c749d764-11
0.462
RAL-THA-2d450e86-8
0.462
ALP-POS-bb8a3193-7
0.462
VLA-UNK-b9c208fe-2
0.462