Molecular Properties | |
SMILES: | CC1(CS(=O)(=O)NCc2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)CS(=O)(=O)C1 |
MW: | 521.08 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 122.3 |
cLogP: | 2.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
Hetero_hetero
ALP-POS-d7944b10-5
0.747
ALP-POS-d7944b10-3
0.722
ALP-POS-6479a3a9-1
0.722
ALP-POS-d7944b10-11
0.716
ALP-POS-6479a3a9-2
0.692
ALP-POS-d7944b10-9
0.689
ALP-POS-d7944b10-13
0.653
ALP-POS-d7944b10-7
0.649
ALP-POS-d7944b10-12
0.643
ALP-POS-d7944b10-17
0.643
BEN-DND-d1eb1f41-4
0.637
ALP-POS-d7944b10-15
0.634
ALP-POS-d7944b10-6
0.624
ALP-POS-d7944b10-14
0.618
ALP-POS-d7944b10-18
0.600
ALP-POS-d054b76b-5
0.594
MIC-UNK-06e5f114-1
0.594
ALP-POS-d7944b10-2
0.592
ALP-POS-df536be7-6
0.592
BEN-DND-d1eb1f41-6
0.579
MIC-UNK-06e5f114-2
0.566
MIC-UNK-06e5f114-4
0.565
ALP-POS-bb8a3193-6
0.555
ALP-POS-d7944b10-8
0.552
ALP-POS-d7944b10-10
0.547
ALP-POS-bb8a3193-7
0.547
MIC-UNK-06e5f114-3
0.545
ALP-POS-6479a3a9-4
0.545
RAL-THA-2d450e86-27
0.532
RAL-THA-2d450e86-24
0.532
PET-UNK-dd44aeb6-2
0.532
ALP-POS-df536be7-5
0.525
RAL-THA-2d450e86-29
0.520
MAT-POS-3b92565d-1
0.520
MAT-POS-bbbbc21a-1
0.520
MIC-UNK-df9dcda8-1
0.520
MIC-UNK-df9dcda8-2
0.520
PET-UNK-dd44aeb6-1
0.516
RAL-THA-2d450e86-25
0.516
MIC-UNK-df9dcda8-4
0.495
MIC-UNK-df9dcda8-3
0.495
RAL-THA-2d450e86-28
0.490
PET-UNK-dd44aeb6-3
0.490
MIC-UNK-37660950-2
0.486
RAL-THA-2d450e86-2
0.484
ALP-POS-6479a3a9-5
0.482
ALP-POS-d7944b10-16
0.472
ALP-POS-6479a3a9-3
0.472
ALP-POS-d7944b10-1
0.472
RAL-THA-1d44ff04-9
0.471
MIC-UNK-37660950-1
0.469
RAL-THA-2d450e86-30
0.463
MIC-UNK-e7433122-1
0.460
EDJ-MED-487c5e9f-3
0.458
RAL-THA-1d44ff04-11
0.457
MIC-UNK-37660950-4
0.457
RAL-THA-2d450e86-22
0.455
EDJ-MED-4fff0a85-3
0.455
MAT-POS-bf364d7a-1
0.455
MAT-POS-bf364d7a-2
0.455
RAL-THA-2d450e86-20
0.455
MAT-POS-afd4d4fd-1
0.455
RAL-THA-2d450e86-33
0.454
ADA-UCB-6c2cb422-1
0.454
MIC-UNK-e8d6fb58-4
0.453
RAL-THA-2d450e86-36
0.453
RAL-THA-2d450e86-34
0.449
RAL-THA-2d450e86-39
0.449
MAT-POS-afd4d4fd-3
0.449
MAT-POS-fce787c2-2
0.448
MIC-UNK-37660950-3
0.445
NAU-LAT-2fed8305-5
0.444
RAL-THA-2d450e86-26
0.444
MAT-POS-281d2ee9-1
0.443
RAL-THA-1d44ff04-10
0.442
RAL-THA-2d450e86-21
0.441
MIC-UNK-e8d6fb58-3
0.441
NAU-LAT-2fed8305-9
0.439
RAL-THA-2d450e86-37
0.438
RAL-THA-2d450e86-38
0.438
RAL-THA-2d450e86-18
0.437
MAT-POS-3b92565d-2
0.437
ALP-POS-3b848b35-1
0.437
MAK-UNK-919546f0-4
0.436
RAL-THA-2d450e86-14
0.436
RAL-THA-2d450e86-15
0.436
RAL-THA-2d450e86-6
0.436
PET-UNK-3c72d439-1
0.436
MAT-POS-bbbbc21a-3
0.435
RAL-THA-2d450e86-13
0.434
MAT-POS-afd4d4fd-2
0.434
LON-WEI-9739a092-9
0.434
EDJ-MED-50011917-3
0.434
MIC-UNK-16ccb665-3
0.433
PET-UNK-bb7ffe78-1
0.431
MAK-UNK-c749d764-32
0.431
ALP-POS-df536be7-1
0.431
RAL-THA-2d450e86-23
0.430
NAU-LAT-30527ac5-1
0.430
RAL-THA-1d44ff04-6
0.430