Molecule Details
| Molecular Properties | |
| SMILES: | CC(=O)N1CCN(CC(=O)Nc2cnccc2C)C(=O)C1 |
| MW: | 290.14 |
| Fraction sp3: | 0.43 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 82.61 |
| cLogP: | 0.02 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
BEN-DND-93268d01-8
BEN-DND-22e6b372-2
0.701
BEN-DND-22e6b372-4
0.642
BEN-DND-22e6b372-3
0.623
EDJ-MED-3c65e9ce-1
0.612
BEN-DND-93268d01-8
0.612
BEN-DND-6de5dfa0-6
0.554
BEN-DND-6de5dfa0-5
0.542
BEN-DND-09b88bf4-4
0.534
BEN-DND-09b88bf4-2
0.534
BEN-DND-03406596-7
0.534
BEN-DND-6de5dfa0-1
0.534
BEN-DND-6de5dfa0-4
0.534
BEN-DND-93268d01-10
0.529
BEN-DND-6de5dfa0-7
0.527
BEN-DND-09b88bf4-6
0.527
BEN-DND-09b88bf4-5
0.514
BEN-DND-93268d01-9
0.514
BEN-DND-93268d01-11
0.514
NIR-THE-b7e8e081-1
0.514
BEN-DND-09b88bf4-8
0.513
ASH-SAT-43770c7d-9
0.508
BEN-DND-6de5dfa0-16
0.507
NIR-THE-b7e8e081-2
0.507
EDJ-MED-3c65e9ce-4
0.493
MAK-UNK-6ca90168-26
0.484
BEN-DND-6de5dfa0-14
0.481
BEN-DND-09b88bf4-3
0.480
BEN-DND-6de5dfa0-3
0.480
NAU-LAT-3f5f3993-5
0.480
BEN-DND-6de5dfa0-15
0.474
BEN-DND-6de5dfa0-13
0.470
BEN-DND-93268d01-12
0.470
BEN-DND-6de5dfa0-2
0.469
BEN-DND-09b88bf4-1
0.469
BEN-DND-6de5dfa0-10
0.459
ANU-UNK-2781581f-1
0.458
RED-SAT-26a928c9-1
0.458
BEN-DND-6de5dfa0-9
0.457
BEN-DND-09b88bf4-7
0.453
BEN-DND-6de5dfa0-8
0.451
MAT-POS-590ac91e-6
0.444
ALE-HEI-f28a35b5-12
0.443
MAT-POS-590ac91e-9
0.438
AAR-POS-d2a4d1df-3
0.435
MAK-UNK-6435e6c2-8
0.435
NAU-LAT-3f5f3993-2
0.434
MAK-UNK-902cc841-15
0.434
TRY-UNI-714a760b-10
0.432
MAT-POS-590ac91e-23
0.432
EDG-MED-0da5ad92-4
0.432
ALE-HEI-f28a35b5-6
0.432
ALP-POS-95b75b4d-4
0.432
ALE-HEI-f28a35b5-17
0.431
SCO-VAN-260d9628-1
0.431
ERI-UCB-5b47150d-4
0.429
MAT-POS-590ac91e-24
0.427
MAT-POS-590ac91e-10
0.427
MAT-POS-590ac91e-11
0.423
BAR-COM-0f94fc3d-41
0.422
MAT-POS-590ac91e-15
0.421
MAT-POS-590ac91e-7
0.419
BAR-COM-0f94fc3d-18
0.417
ALP-POS-95b75b4d-2
0.416
BEN-DND-6de5dfa0-19
0.416
MIH-UNI-6b9ca91a-1
0.413
GAB-REV-70cc3ca5-21
0.413
MAK-UNK-902cc841-17
0.412
NAU-LAT-3f5f3993-1
0.412
TRY-UNI-714a760b-5
0.411
JAN-GHE-83b26c96-11
0.411
JAN-GHE-83b26c96-12
0.410
EDJ-MED-c9f55a56-1
0.408
TRY-UNI-714a760b-20
0.407
BAR-COM-0f94fc3d-48
0.407
PET-SGC-6e7c5dc0-1
0.405
EDG-MED-0da5ad92-9
0.405
MAK-UNK-7264f48c-3
0.404
JOH-UNI-abfda500-6
0.403
MAT-POS-590ac91e-17
0.403
ANN-UNI-98d2bf15-1
0.403
MAT-POS-590ac91e-5
0.400
MAT-POS-590ac91e-2
0.400
EDJ-MED-e58735b6-1
0.400
MAT-POS-590ac91e-1
0.400
ERI-UCB-5b47150d-1
0.400
BEN-DND-6de5dfa0-21
0.400
TRY-UNI-2eddb1ff-6
0.398
RAL-THA-901e9a10-3
0.398
BEN-DND-6de5dfa0-12
0.398
ALP-POS-90c18d1d-1
0.398
SAM-UNK-2684b532-9
0.398
NAU-LAT-3f5f3993-10
0.398
DAR-DIA-0cde14eb-61
0.398
EDJ-MED-e58735b6-2
0.397
BEN-DND-93268d01-13
0.397
JAN-GHE-83b26c96-13
0.397
TRY-UNI-714a760b-6
0.397
DAR-DIA-0cde14eb-74
0.395
TRY-UNI-2eddb1ff-1
0.395
ALP-POS-95b75b4d-3
0.395