Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)NCc2c(F)cc(F)cc2CC(=O)Nc2cncc3c2CCCC3)CC1 |
MW: | 474.15 |
Fraction sp3: | 0.43 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 111.95 |
cLogP: | 3.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALP-POS-bb8a3193-2
0.653
ALP-POS-bb8a3193-1
0.629
DAR-DIA-0cde14eb-45
0.444
ALP-POS-df536be7-2
0.440
DAR-DIA-0cde14eb-33
0.421
DAR-DIA-0cde14eb-31
0.407
EDJ-MED-a364e151-1
0.404
DAR-DIA-0cde14eb-32
0.404
DAR-DIA-0cde14eb-34
0.404
ALP-POS-df536be7-1
0.389
ALP-POS-6479a3a9-5
0.371
ALP-POS-bb8a3193-7
0.364
DAR-DIA-0cde14eb-39
0.363
DAR-DIA-0cde14eb-43
0.359
BEN-DND-a88ffd65-2
0.357
ALP-POS-6479a3a9-1
0.355
ALP-POS-d7944b10-3
0.355
DAR-DIA-0cde14eb-37
0.345
MAT-POS-199e2e7c-1
0.343
ALP-POS-6479a3a9-4
0.338
ALP-POS-4483ae88-3
0.336
DAR-DIA-0cde14eb-35
0.333
DAR-DIA-0cde14eb-36
0.333
DAR-DIA-0cde14eb-38
0.333
DAR-DIA-0cde14eb-42
0.333
DAR-DIA-0cde14eb-44
0.333
ALP-POS-e6e0c683-3
0.328
DAR-DIA-0cde14eb-40
0.325
DAR-DIA-0cde14eb-41
0.322
ALP-POS-e6e0c683-1
0.317
ALP-POS-d7944b10-9
0.316
ALP-POS-d7944b10-11
0.313
EDJ-MED-705e09b8-2
0.311
ALP-POS-93b3621f-2
0.310
MIK-UNK-58cd43d0-1
0.309
ALP-POS-4483ae88-4
0.309
MIK-UNK-78dbf1b8-1
0.309
MIK-ENA-5d9157e9-6
0.306
ALP-POS-5fe48310-1
0.306
MIK-ENA-5d9157e9-5
0.306
ALP-UNI-8d415491-2
0.298
ALF-EVA-a24cc7ce-3
0.292
NEE-PAC-882c416c-1
0.286
PET-UNK-6da3dcd8-19
0.282
PET-UNK-6da3dcd8-18
0.280
PET-UNK-6da3dcd8-20
0.279
ALP-POS-e6e0c683-2
0.278
ALP-POS-c56c1477-2
0.277
ALP-POS-bb8a3193-6
0.274
EDJ-MED-be9e6f63-2
0.273
EDJ-MED-7889e8da-2
0.273
ALP-POS-6f6ae286-4
0.268
MAT-POS-81ae2990-8
0.264
EDJ-MED-036ae2e9-12
0.263
ALP-POS-bb8a3193-5
0.262
JUL-TUD-06b2044f-49
0.261
ALP-POS-bb8a3193-4
0.259
MAT-POS-b4d6b7fc-9
0.257
MAT-POS-81ae2990-9
0.257
BRU-THA-4b053743-1
0.255
ALP-POS-c56c1477-1
0.255
PET-UNK-19e211a9-6
0.255
EDJ-MED-705e09b8-1
0.254
MIK-UNK-1619f2e2-1
0.254
MIK-UNK-122557fa-1
0.254
PET-UNK-6da3dcd8-10
0.250
EDJ-MED-7889e8da-4
0.248
EDJ-MED-be9e6f63-4
0.248
BAR-COM-0f94fc3d-49
0.248
MAT-POS-590ac91e-15
0.248
MAT-POS-22373164-2
0.247
PET-UNK-19e211a9-5
0.247
ALE-ALC-3d276b90-1
0.246
PET-UNK-6da3dcd8-9
0.246
ALP-POS-d7944b10-5
0.246
MAT-POS-38eb6498-2
0.245
PET-UNK-6da3dcd8-8
0.245
MAT-POS-83a7b0a0-2
0.245
MAT-POS-89bd6af1-2
0.245
EDJ-MED-b1cef252-2
0.245
MAR-TRE-7f7bb9f0-91
0.243
MAT-POS-22373164-4
0.243
MAT-POS-22373164-3
0.243
PET-UNK-c6bcc80b-8
0.243
PET-UNK-c6bcc80b-1
0.243
MAT-POS-bfd29aac-2
0.243
PET-UNK-19e211a9-2
0.243
MAT-POS-853c0ffa-11
0.242
ALE-ALC-e1a61ec1-1
0.241
RAL-THA-2d450e86-26
0.241
EDJ-MED-be9e6f63-3
0.241
EDJ-MED-378a25ea-25
0.241
MAT-POS-853c0ffa-13
0.241
MAT-POS-13080fc6-1
0.241
MAT-POS-c7726e07-7
0.241
MAT-POS-c7726e07-8
0.241
PET-UNK-19e211a9-4
0.241
MAT-POS-89bd6af1-1
0.241
ALP-POS-c56c1477-4
0.241
MAT-POS-2e8b2191-6
0.241