Molecular Properties | |
SMILES: | CN(c1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12)S(C)(=O)=O |
MW: | 403.08 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.37 |
cLogP: | 3.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALP-POS-df536be7-6
0.659
MIC-UNK-df9dcda8-1
0.651
MIC-UNK-e8d6fb58-4
0.649
RAL-THA-2d450e86-27
0.633
PET-UNK-dd44aeb6-1
0.633
RAL-THA-2d450e86-25
0.633
BEN-DND-d1eb1f41-6
0.627
ALP-POS-6479a3a9-2
0.616
RAL-THA-2d450e86-24
0.613
PET-UNK-dd44aeb6-2
0.613
RAL-THA-2d450e86-29
0.595
MAT-POS-bbbbc21a-1
0.595
MAT-POS-3b92565d-1
0.595
BEN-DND-d1eb1f41-4
0.595
ALP-POS-d7944b10-7
0.593
MIC-UNK-df9dcda8-3
0.583
MIC-UNK-df9dcda8-4
0.581
ALP-POS-d7944b10-15
0.579
RAL-THA-2d450e86-28
0.576
PET-UNK-dd44aeb6-3
0.576
MIC-UNK-06e5f114-1
0.570
ALP-POS-d7944b10-6
0.568
RAL-THA-1d44ff04-9
0.568
MIC-UNK-37660950-2
0.564
ALP-POS-df536be7-5
0.563
MIC-UNK-e7433122-1
0.562
RAL-THA-2d450e86-2
0.557
NAU-LAT-2fed8305-9
0.556
ALP-POS-d7944b10-2
0.549
ALP-POS-d7944b10-1
0.549
ALP-POS-6479a3a9-3
0.549
RAL-THA-2d450e86-26
0.542
ALP-POS-d7944b10-5
0.541
MIC-UNK-06e5f114-2
0.541
MIC-UNK-37660950-1
0.541
MIC-UNK-37660950-4
0.540
RAL-THA-2d450e86-36
0.537
RAL-THA-2d450e86-37
0.537
ALP-POS-d7944b10-17
0.537
ALP-POS-d7944b10-12
0.537
ADA-UCB-6c2cb422-1
0.537
RAL-THA-2d450e86-33
0.537
ALP-POS-df536be7-1
0.533
ALP-POS-d7944b10-16
0.532
RAL-THA-2d450e86-30
0.531
MAT-POS-fce787c2-2
0.531
ALP-POS-d7944b10-18
0.530
PET-UNK-3c72d439-1
0.529
RAL-THA-2d450e86-6
0.529
ALP-POS-bb8a3193-6
0.529
MIC-UNK-06e5f114-4
0.525
MIC-UNK-37660950-3
0.524
PET-UNK-bb7ffe78-1
0.523
ALP-POS-6479a3a9-1
0.520
ALP-POS-d7944b10-13
0.520
ALP-POS-d7944b10-3
0.520
ALP-POS-d7944b10-4
0.520
MIC-UNK-e8d6fb58-3
0.520
MAK-UNK-919546f0-4
0.519
RAL-THA-2d450e86-38
0.519
MAT-POS-afd4d4fd-1
0.518
RAL-THA-2d450e86-20
0.518
RAL-THA-2d450e86-19
0.518
RAL-THA-1d44ff04-11
0.516
ALP-POS-d7944b10-14
0.515
MAT-POS-afd4d4fd-3
0.512
RAL-THA-2d450e86-40
0.512
RAL-THA-2d450e86-34
0.512
VLA-UNK-b9c208fe-2
0.512
RAL-THA-2d450e86-15
0.512
RAL-THA-2d450e86-9
0.512
RAL-THA-2d450e86-14
0.512
RAL-THA-1d44ff04-3
0.511
NAU-LAT-2fed8305-5
0.506
RAL-THA-2d450e86-23
0.506
VLA-UNK-9a7dc93f-1
0.506
PET-UNK-bb7ffe78-3
0.506
ALP-POS-d7944b10-10
0.505
MIC-UNK-06e5f114-3
0.505
NAU-LAT-2fed8305-6
0.500
RAL-THA-1d44ff04-10
0.500
RAL-THA-1d44ff04-6
0.500
RAL-THA-2d450e86-22
0.500
NAU-LAT-30527ac5-1
0.500
MAT-POS-23a8a11a-1
0.500
ALP-POS-d054b76b-5
0.495
ALP-POS-d7944b10-8
0.495
RAL-THA-1d44ff04-5
0.495
PET-UNK-8c422e11-1
0.495
RAL-THA-1d44ff04-4
0.494
RAL-THA-2d450e86-18
0.494
ALP-POS-3b848b35-1
0.494
MAT-POS-3b92565d-2
0.494
RAL-THA-2d450e86-8
0.494
RAL-THA-2d450e86-39
0.494
RAL-THA-2d450e86-35
0.494
RAL-THA-2d450e86-16
0.494
MAT-POS-bbbbc21a-3
0.489
VLA-UNK-b9c208fe-1
0.489
MAT-POS-fce787c2-1
0.489