Molecular Properties | |
SMILES: | CC(=O)N1CCC(c2ccncc2NC(=O)Cc2cccc(C#N)c2)CC1 |
MW: | 362.17 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 86.09 |
cLogP: | 2.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-0daf6b7e-27
SAD-SAT-24589cd1-10
0.667
TRY-UNI-714a760b-20
0.573
ALP-POS-95b75b4d-10
0.565
MAT-POS-bb423b95-4
0.548
ALP-POS-95b75b4d-5
0.548
SAD-SAT-24589cd1-5
0.542
SAD-SAT-24589cd1-1
0.529
SAD-SAT-24589cd1-3
0.529
SAD-SAT-24589cd1-8
0.523
SAD-SAT-24589cd1-6
0.516
MAK-UNK-748f8b7a-6
0.500
MAK-UNK-748f8b7a-9
0.486
TRY-UNI-714a760b-19
0.472
EDJ-MED-3c65e9ce-2
0.466
RAL-THA-2d450e86-12
0.462
ANN-UNI-26382800-5
0.453
SAD-SAT-7d5528d9-6
0.448
ALP-POS-95b75b4d-4
0.409
SAD-SAT-7d5528d9-35
0.396
ALP-POS-95b75b4d-9
0.391
GAB-REV-70cc3ca5-19
0.381
MAK-UNK-6ca90168-23
0.380
ALP-POS-df536be7-3
0.379
EDJ-MED-e58735b6-2
0.378
DAR-DIA-0cde14eb-14
0.374
ALP-POS-95b75b4d-1
0.374
ALP-POS-d054b76b-7
0.372
TRY-UNI-2eddb1ff-6
0.368
RAL-THA-901e9a10-3
0.368
PAT-UNK-b2d83456-1
0.368
BRU-LEF-c49414a7-1
0.366
RAL-THA-901e9a10-7
0.366
TRY-UNI-714a760b-6
0.363
JAN-GHE-83b26c96-13
0.363
ALP-POS-95b75b4d-2
0.363
TRY-UNI-2eddb1ff-1
0.362
DAR-DIA-0cde14eb-2
0.361
JAN-GHE-83b26c96-12
0.359
DAR-DIA-0cde14eb-4
0.357
SAD-SAT-7d5528d9-1
0.356
JOH-UNI-abfda500-4
0.355
PET-UNK-c9c1e0d8-2
0.354
EDJ-MED-e58735b6-1
0.351
DAR-DIA-0cde14eb-1
0.351
TRY-UNI-714a760b-22
0.351
JOH-IMS-d6628593-2
0.348
DAR-DIA-23aa0b97-4
0.348
ANN-UNI-98d2bf15-2
0.347
DAR-DIA-0cde14eb-76
0.347
JAN-GHE-83b26c96-14
0.347
ALP-POS-95b75b4d-3
0.347
JIN-POS-6dc588a4-3
0.347
DAR-DIA-0cde14eb-3
0.343
MAT-POS-c20a539d-5
0.343
PET-UNK-6314f867-2
0.343
ALP-POS-95b75b4d-8
0.341
SAM-UNK-2684b532-13
0.341
MAK-UNK-10dfa458-40
0.340
DAR-DIA-0cde14eb-79
0.340
JOH-UNI-abfda500-7
0.340
EDJ-MED-e58735b6-3
0.340
DAR-DIA-0cde14eb-78
0.340
TRY-UNI-9f475305-1
0.339
MIC-UNK-2744a8e2-1
0.339
TRY-UNI-9f475305-9
0.339
ALP-POS-95b75b4d-6
0.337
TRY-UNI-714a760b-24
0.337
ANN-UNI-98d2bf15-5
0.337
SAM-UNK-2684b532-11
0.333
SAM-UNK-2684b532-12
0.333
JIN-POS-6dc588a4-4
0.333
MAT-POS-bb423b95-5
0.333
NAU-LAT-3f5f3993-2
0.333
PET-SGC-276eba5a-1
0.333
RUB-POS-1325a9ea-19
0.333
BEN-DND-61647d40-8
0.333
DAR-DIA-0cde14eb-77
0.330
ALP-POS-95b75b4d-7
0.330
SAD-SAT-7d5528d9-25
0.327
JOH-UNI-61f30276-4
0.327
JOH-UNI-abfda500-5
0.326
ANN-UNI-98d2bf15-3
0.326
EDJ-MED-e58735b6-4
0.324
BEN-DND-22e6b372-1
0.323
JIN-POS-6dc588a4-6
0.323
MAT-POS-bb423b95-3
0.323
ALP-POS-0c2c77e1-1
0.323
DAR-DIA-03336633-4
0.319
RAL-THA-901e9a10-4
0.318
TRY-UNI-9f475305-6
0.315
RAL-THA-901e9a10-8
0.315
ALP-UNI-8d415491-1
0.314
DAR-DIA-23aa0b97-19
0.314
BEN-DND-6de5dfa0-6
0.313
SAD-SAT-c989feaa-2
0.311
TRY-UNI-714a760b-5
0.311
TRY-UNI-1fd04853-6
0.311
NAU-LAT-3f5f3993-1
0.311
BEN-DND-61647d40-7
0.309
AGN-NEW-c7b24fe3-3
0.309