Molecular Properties | |
SMILES: | COC1(CS(=O)(=O)NCc2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)CC1 |
MW: | 473.12 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 97.39 |
cLogP: | 3.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
ALP-POS-d7944b10-3
0.772
ALP-POS-6479a3a9-1
0.772
ALP-POS-d7944b10-4
0.747
ALP-POS-6479a3a9-2
0.724
ALP-POS-d7944b10-9
0.717
ALP-POS-d7944b10-11
0.710
ALP-POS-d7944b10-13
0.680
ALP-POS-d7944b10-7
0.677
ALP-POS-d7944b10-12
0.670
ALP-POS-d7944b10-17
0.670
BEN-DND-d1eb1f41-4
0.667
ALP-POS-d7944b10-15
0.660
ALP-POS-d7944b10-6
0.649
ALP-POS-d7944b10-14
0.643
ALP-POS-df536be7-6
0.634
ALP-POS-d7944b10-18
0.624
BEN-DND-d1eb1f41-6
0.622
MIC-UNK-06e5f114-1
0.619
ALP-POS-d054b76b-5
0.618
ALP-POS-d7944b10-2
0.617
ALP-POS-bb8a3193-6
0.606
ALP-POS-bb8a3193-7
0.600
MIC-UNK-06e5f114-2
0.588
MIC-UNK-06e5f114-4
0.587
ALP-POS-d7944b10-10
0.584
ALP-POS-6479a3a9-4
0.579
MAT-POS-bbbbc21a-1
0.576
RAL-THA-2d450e86-29
0.576
MAT-POS-3b92565d-1
0.576
ALP-POS-d7944b10-8
0.574
RAL-THA-2d450e86-27
0.573
MIC-UNK-06e5f114-3
0.565
MIC-UNK-df9dcda8-4
0.547
ALP-POS-df536be7-5
0.547
MIC-UNK-df9dcda8-1
0.542
MIC-UNK-df9dcda8-2
0.541
PET-UNK-dd44aeb6-1
0.538
RAL-THA-2d450e86-24
0.538
PET-UNK-dd44aeb6-2
0.538
RAL-THA-2d450e86-25
0.538
ALP-POS-d7944b10-16
0.520
MIC-UNK-df9dcda8-3
0.516
PET-UNK-dd44aeb6-3
0.510
RAL-THA-2d450e86-28
0.510
ALP-POS-6479a3a9-5
0.500
MIC-UNK-37660950-2
0.491
ALP-POS-d7944b10-1
0.490
ALP-POS-6479a3a9-3
0.490
RAL-THA-1d44ff04-9
0.490
RAL-THA-2d450e86-22
0.490
RAL-THA-2d450e86-2
0.489
RAL-THA-2d450e86-18
0.485
ALP-POS-3b848b35-1
0.485
MAT-POS-3b92565d-2
0.485
RAL-THA-2d450e86-39
0.484
RAL-THA-2d450e86-30
0.484
MIC-UNK-e8d6fb58-4
0.482
MIC-UNK-e7433122-1
0.477
EDJ-MED-50011917-3
0.477
RAL-THA-1d44ff04-6
0.475
MIC-UNK-37660950-4
0.473
ADA-UCB-6c2cb422-1
0.473
RAL-THA-2d450e86-33
0.473
MIC-UNK-37660950-1
0.473
RAL-THA-2d450e86-36
0.473
EDJ-MED-82bd779b-1
0.470
MIC-UNK-e8d6fb58-3
0.469
MAT-POS-fce787c2-2
0.467
DAR-DIA-0587064e-2
0.466
RAL-THA-2d450e86-26
0.463
RAL-THA-2d450e86-4
0.462
MIC-UNK-37660950-3
0.461
RAL-THA-1d44ff04-11
0.461
MAT-POS-281d2ee9-1
0.461
RAL-THA-2d450e86-21
0.459
RAL-THA-2d450e86-20
0.458
MAT-POS-afd4d4fd-1
0.458
NAU-LAT-2fed8305-9
0.457
RAL-THA-2d450e86-37
0.457
RAL-THA-2d450e86-38
0.457
ALP-POS-bb8a3193-1
0.456
MAK-UNK-919546f0-4
0.456
RAL-THA-2d450e86-8
0.454
RAL-THA-2d450e86-11
0.454
PET-UNK-3c72d439-1
0.454
RAL-THA-2d450e86-6
0.454
RAL-THA-2d450e86-15
0.454
RAL-THA-2d450e86-34
0.453
MAT-POS-afd4d4fd-2
0.453
MAT-POS-afd4d4fd-3
0.453
DAR-DIA-0587064e-4
0.452
MAT-POS-bbbbc21a-3
0.452
MAT-POS-fce787c2-1
0.450
MIC-UNK-16ccb665-3
0.450
EDJ-MED-76744c27-4
0.449
EDJ-MED-968bafd9-1
0.449
ALF-EVA-07677224-7
0.449
MAT-POS-bf364d7a-7
0.449
MAT-POS-bf364d7a-8
0.449
PET-UNK-bb7ffe78-1
0.449