Molecular Properties | |
SMILES: | O=S(=O)(Cc1cccc(Cl)c1)Nc1cncc2ccccc12 |
MW: | 332.04 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 59.06 |
cLogP: | 3.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
JAN-GHE-83b26c96-17
0.528
ADA-UCB-6c2cb422-1
0.527
ALP-POS-f13221e1-3
0.506
ALP-POS-76eab5ce-2
0.443
DAR-DIA-2964957d-1
0.438
VLA-UNK-9a7dc93f-7
0.434
NAU-LAT-2fed8305-1
0.432
MIC-UNK-df9dcda8-1
0.425
DAR-DIA-6a49afbe-1
0.425
RAL-THA-2d450e86-30
0.423
MAT-POS-fce787c2-2
0.423
ALP-POS-f13221e1-2
0.422
NAU-LAT-2fed8305-2
0.422
MIC-UNK-bcd487e9-1
0.420
RAL-THA-1d44ff04-11
0.420
ALP-POS-ddb41b15-6
0.420
NAU-LAT-a5c7d7cb-2
0.416
MIC-UNK-6ab519a7-1
0.416
NIR-THE-590dedc7-1
0.416
MIC-UNK-5a93dd5f-10
0.416
RAL-THA-2d450e86-27
0.415
NAU-LAT-2fed8305-7
0.412
MAT-POS-bb423b95-7
0.410
JOH-UNI-ee5ed7c8-6
0.409
JOH-UNI-3fc3434e-6
0.409
MIC-UNK-cdc2493e-3
0.407
RAL-THA-1d44ff04-9
0.404
JOH-UNI-50ce7ec3-1
0.404
MAK-UNK-c749d764-6
0.404
MAK-UNK-ffc90da7-1
0.404
JOH-UNI-50ce7ec3-2
0.402
RAL-THA-1d44ff04-10
0.402
EDJ-MED-cf4b0d25-4
0.402
WIL-UCB-7ba4ac3a-3
0.400
PET-UNK-12d8d43f-2
0.398
RAL-THA-1d44ff04-4
0.395
RAL-THA-2d450e86-15
0.393
RAL-THA-2d450e86-14
0.393
RAL-THA-2d450e86-6
0.393
RAL-THA-2d450e86-2
0.392
MIC-UNK-d36ab305-1
0.391
PET-UNK-5ecb6237-1
0.391
MIC-UNK-16ccb665-3
0.391
RAL-THA-2d450e86-17
0.391
MAT-POS-cc05818f-1
0.391
MIC-UNK-c66144cb-1
0.389
MAT-POS-90fd5f68-12
0.389
MAT-POS-90fd5f68-30
0.389
NAU-LAT-4ce8bf23-2
0.389
PET-UNK-bb7ffe78-1
0.388
MIC-UNK-d36ab305-4
0.387
MIC-UNK-cdc2493e-1
0.387
DAR-DIA-0587064e-5
0.387
DAR-DIA-2964957d-9
0.386
RAL-THA-1d44ff04-13
0.386
NAU-LAT-2fed8305-5
0.386
VLA-UCB-34f3ed0c-13
0.385
ALP-POS-6479a3a9-2
0.385
PET-UNK-12d8d43f-1
0.384
VLA-UCB-05e51b3f-15
0.384
VLA-UCB-05e51b3f-17
0.384
PET-UNK-6c2be958-1
0.384
MAK-UNK-ffc90da7-7
0.383
MIC-UNK-5a93dd5f-1
0.383
MIC-UNK-5a93dd5f-2
0.383
PET-UNK-8c422e11-1
0.382
RAL-THA-1d44ff04-5
0.382
PET-UNK-a692de38-1
0.382
MIC-UNK-cdc2493e-2
0.381
RAL-THA-2d450e86-25
0.381
PET-UNK-dd44aeb6-1
0.381
PET-UNK-dd44aeb6-2
0.381
RAL-THA-2d450e86-24
0.381
MAT-POS-c20a539d-7
0.380
ALP-POS-3b848b35-1
0.379
RAL-THA-2d450e86-18
0.379
MAT-POS-3b92565d-2
0.379
EDJ-MED-c314995a-1
0.379
VLA-UCB-05e51b3f-14
0.379
MIC-UNK-c66144cb-2
0.379
MIC-UNK-5a93dd5f-8
0.379
MIC-UNK-bcd487e9-7
0.379
RAL-THA-2d450e86-10
0.378
NAU-LAT-2fed8305-9
0.378
MAT-POS-23a8a11a-1
0.378
DAR-DIA-b80f1cd7-1
0.378
MAT-POS-90fd5f68-35
0.378
RAL-THA-2d450e86-1
0.377
RAL-THA-2d450e86-12
0.376
PET-UNK-3c72d439-1
0.376
RAL-THA-2d450e86-9
0.376
RAL-THA-2d450e86-8
0.376
MIC-UNK-cdc2493e-23
0.376
MIC-UNK-cdc2493e-11
0.376
MIC-UNK-cdc2493e-19
0.376
DAR-DIA-b80f1cd7-2
0.376
MIC-UNK-bcd487e9-3
0.376
MIC-UNK-bcd487e9-5
0.376
RAL-THA-2d450e86-28
0.375
MIC-UNK-bcd487e9-4
0.375