Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)NCc2ccc(Cl)cc2CC(=O)Nc2cncc3c2CCCC3)CC1 |
MW: | 472.13 |
Fraction sp3: | 0.43 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 111.95 |
cLogP: | 3.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALP-POS-bb8a3193-2
0.766
ALP-POS-df536be7-2
0.714
ALP-POS-bb8a3193-3
0.629
ALP-POS-6479a3a9-1
0.606
ALP-POS-d7944b10-3
0.606
ALP-POS-6479a3a9-5
0.594
ALP-POS-6479a3a9-4
0.573
ALP-POS-d7944b10-9
0.540
ALP-POS-d7944b10-11
0.535
EDJ-MED-a364e151-1
0.480
DAR-DIA-0cde14eb-45
0.462
ALP-POS-d7944b10-5
0.456
ALP-POS-bb8a3193-7
0.451
DAR-DIA-0cde14eb-33
0.438
DAR-DIA-0cde14eb-32
0.434
ALP-POS-d7944b10-4
0.429
ALP-POS-d7944b10-13
0.427
DAR-DIA-0cde14eb-31
0.425
DAR-DIA-0cde14eb-34
0.421
BEN-DND-a88ffd65-2
0.417
ALP-POS-bb8a3193-6
0.413
MAT-POS-199e2e7c-1
0.412
ALP-POS-d7944b10-12
0.400
ALP-POS-6479a3a9-2
0.400
ALP-POS-d054b76b-5
0.397
ALP-POS-d054b76b-6
0.393
ALP-POS-df536be7-3
0.387
ALP-POS-d7944b10-14
0.387
ALP-POS-d054b76b-7
0.380
DAR-DIA-0cde14eb-39
0.378
ALP-POS-d7944b10-17
0.376
ALP-POS-e6e0c683-3
0.376
ALP-POS-d7944b10-7
0.368
MIK-ENA-5d9157e9-5
0.364
MIK-ENA-5d9157e9-6
0.364
ALP-POS-5fe48310-1
0.364
ALP-POS-e6e0c683-1
0.364
EDJ-MED-705e09b8-2
0.364
ALP-POS-d7944b10-15
0.364
DAR-DIA-0cde14eb-43
0.362
DAR-DIA-0cde14eb-36
0.360
ALP-POS-4483ae88-4
0.356
MIK-UNK-58cd43d0-1
0.356
MIK-UNK-78dbf1b8-1
0.356
ALP-POS-d7944b10-6
0.355
ALP-POS-93b3621f-2
0.355
ALP-POS-d7944b10-10
0.355
ALP-POS-d7944b10-18
0.355
BEN-DND-d1eb1f41-4
0.355
DAR-DIA-0cde14eb-37
0.348
DAR-DIA-0cde14eb-35
0.348
DAR-DIA-0cde14eb-38
0.348
MIC-UNK-06e5f114-1
0.342
ALP-POS-4483ae88-3
0.339
ALP-POS-bb8a3193-5
0.338
DAR-DIA-0cde14eb-41
0.336
ALP-POS-bb8a3193-4
0.336
ALP-POS-d7944b10-2
0.333
ALP-UNI-8d415491-2
0.333
MIC-UNK-06e5f114-3
0.331
MIC-UNK-06e5f114-4
0.331
MIC-UNK-06e5f114-2
0.328
DAR-DIA-0cde14eb-40
0.328
ALP-POS-d7944b10-8
0.325
DAR-DIA-0cde14eb-42
0.325
DAR-DIA-0cde14eb-44
0.325
ALP-POS-e6e0c683-2
0.322
ALP-POS-df536be7-6
0.322
ALF-EVA-a24cc7ce-3
0.316
BEN-DND-d1eb1f41-6
0.316
PET-UNK-6da3dcd8-19
0.302
PET-UNK-6da3dcd8-18
0.300
PET-UNK-6da3dcd8-20
0.299
JUL-TUD-06b2044f-49
0.296
RAL-THA-2d450e86-28
0.296
PET-UNK-dd44aeb6-3
0.296
ALE-ALC-3d276b90-1
0.294
PET-UNK-6da3dcd8-9
0.294
MAT-POS-89bd6af1-2
0.292
EDJ-MED-b1cef252-2
0.292
PET-UNK-6da3dcd8-8
0.292
MAT-POS-83a7b0a0-2
0.292
MAT-POS-bfd29aac-2
0.291
PET-UNK-19e211a9-2
0.291
PET-UNK-6da3dcd8-10
0.289
MAT-POS-89bd6af1-1
0.289
ALP-POS-c56c1477-4
0.289
NEE-PAC-882c416c-1
0.288
EDJ-MED-be9e6f63-4
0.288
EDJ-MED-7889e8da-4
0.288
EDG-MED-0da5ad92-7
0.287
RAL-THA-2d450e86-27
0.286
EDJ-MED-be9e6f63-2
0.285
EDJ-MED-7889e8da-2
0.285
JIN-POS-6dc588a4-20
0.284
MAT-POS-14ad9fe9-1
0.284
EDJ-MED-036ae2e9-12
0.284
ALP-POS-df536be7-5
0.280
PET-UNK-19e211a9-4
0.279
ALP-POS-6f6ae286-4
0.279