Molecular Properties | |
SMILES: | Cn1ncc(S(=O)(=O)NCc2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)n1 |
MW: | 470.09 |
Fraction sp3: | 0.14 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 118.87 |
cLogP: | 2.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALP-POS-6479a3a9-2
0.708
ALP-POS-d7944b10-12
0.691
ALP-POS-d7944b10-7
0.681
BEN-DND-d1eb1f41-4
0.652
ALP-POS-d7944b10-15
0.646
ALP-POS-d7944b10-17
0.639
ALP-POS-d7944b10-2
0.638
ALP-POS-d7944b10-6
0.636
ALP-POS-d7944b10-14
0.630
ALP-POS-d7944b10-5
0.624
ALP-POS-d054b76b-5
0.621
ALP-POS-df536be7-6
0.621
ALP-POS-d7944b10-13
0.618
BEN-DND-d1eb1f41-6
0.609
MIC-UNK-06e5f114-1
0.606
ALP-POS-d7944b10-10
0.604
ALP-POS-6479a3a9-1
0.602
ALP-POS-d7944b10-3
0.602
ALP-POS-d7944b10-4
0.600
ALP-POS-d7944b10-8
0.578
ALP-POS-d7944b10-9
0.578
MIC-UNK-06e5f114-2
0.577
MIC-UNK-06e5f114-4
0.575
MIC-UNK-06e5f114-3
0.569
ALP-POS-d7944b10-11
0.559
MIC-UNK-df9dcda8-1
0.546
RAL-THA-2d450e86-27
0.543
MIC-UNK-df9dcda8-3
0.537
ALP-POS-df536be7-5
0.536
RAL-THA-2d450e86-29
0.531
MAT-POS-bbbbc21a-1
0.531
MAT-POS-3b92565d-1
0.531
MIC-UNK-df9dcda8-2
0.530
RAL-THA-2d450e86-25
0.527
PET-UNK-dd44aeb6-1
0.527
PET-UNK-dd44aeb6-2
0.527
RAL-THA-2d450e86-24
0.527
ALP-POS-d7944b10-16
0.524
ALP-POS-bb8a3193-6
0.523
MIC-UNK-df9dcda8-4
0.520
MIC-UNK-e7433122-1
0.509
PET-UNK-dd44aeb6-3
0.500
RAL-THA-2d450e86-28
0.500
MIC-UNK-37660950-2
0.495
ALP-POS-6479a3a9-3
0.495
ALP-POS-d7944b10-1
0.495
RAL-THA-1d44ff04-9
0.480
RAL-THA-2d450e86-33
0.479
RAL-THA-2d450e86-36
0.478
MIC-UNK-37660950-4
0.478
MIC-UNK-37660950-1
0.477
PET-UNK-3c72d439-1
0.474
RAL-THA-2d450e86-30
0.473
RAL-THA-1d44ff04-11
0.466
MIC-UNK-37660950-3
0.466
ADA-UCB-6c2cb422-1
0.463
NAU-LAT-2fed8305-9
0.463
RAL-THA-2d450e86-2
0.462
ALP-POS-bb8a3193-7
0.459
MAT-POS-afd4d4fd-2
0.458
RAL-THA-2d450e86-39
0.458
RAL-THA-2d450e86-34
0.458
MAT-POS-fce787c2-2
0.457
RAL-THA-2d450e86-26
0.454
RAL-THA-1d44ff04-6
0.452
MAT-POS-281d2ee9-1
0.452
RAL-THA-2d450e86-22
0.450
ALP-POS-6479a3a9-4
0.449
MAT-POS-afd4d4fd-1
0.449
RAL-THA-2d450e86-20
0.449
MIC-UNK-e8d6fb58-3
0.448
MIC-UNK-e8d6fb58-4
0.448
RAL-THA-2d450e86-38
0.447
RAL-THA-2d450e86-37
0.447
RAL-THA-1d44ff04-3
0.447
MAK-UNK-919546f0-4
0.446
MAT-POS-3b92565d-2
0.446
ALP-POS-3b848b35-1
0.446
RAL-THA-2d450e86-18
0.446
MAT-POS-4223bc15-31
0.445
RAL-THA-2d450e86-15
0.444
RAL-THA-2d450e86-6
0.444
MAT-POS-afd4d4fd-3
0.443
MIC-UNK-16ccb665-3
0.441
PET-UNK-bb7ffe78-1
0.440
ALP-POS-df536be7-1
0.439
NAU-LAT-2fed8305-5
0.439
RAL-THA-2d450e86-23
0.439
NAU-LAT-30527ac5-1
0.438
EDJ-MED-50011917-2
0.438
RAL-THA-1d44ff04-10
0.437
RAL-THA-2d450e86-21
0.436
RAL-THA-2d450e86-1
0.435
RAL-THA-2d450e86-19
0.434
MAT-POS-23a8a11a-1
0.433
ALP-POS-f13221e1-1
0.433
RAL-THA-2d450e86-8
0.430
RAL-THA-2d450e86-14
0.430
RAL-THA-2d450e86-9
0.430
DAR-DIA-0587064e-2
0.430