Molecule Details
| Molecular Properties | |
| SMILES: | CCC(=O)N1CCN(CC(=O)Nc2cnccc2C)CC1 |
| MW: | 290.17 |
| Fraction sp3: | 0.53 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 65.54 |
| cLogP: | 0.88 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
BEN-DND-03406596-7
1.000
BEN-DND-09b88bf4-2
1.000
BEN-DND-6de5dfa0-16
0.787
NIR-THE-b7e8e081-2
0.787
EDJ-MED-3c65e9ce-1
0.763
BEN-DND-93268d01-8
0.763
BEN-DND-6de5dfa0-7
0.730
BEN-DND-09b88bf4-6
0.730
NIR-THE-b7e8e081-1
0.714
BEN-DND-09b88bf4-5
0.700
BEN-DND-93268d01-9
0.700
BEN-DND-09b88bf4-8
0.682
BEN-DND-6de5dfa0-6
0.682
BEN-DND-93268d01-11
0.672
BEN-DND-93268d01-10
0.661
BEN-DND-6de5dfa0-3
0.646
NAU-LAT-3f5f3993-5
0.646
BEN-DND-09b88bf4-3
0.646
BEN-DND-6de5dfa0-2
0.643
BEN-DND-09b88bf4-1
0.643
RED-SAT-26a928c9-1
0.625
ANU-UNK-2781581f-1
0.625
EDJ-MED-3c65e9ce-4
0.615
BEN-DND-09b88bf4-7
0.592
BEN-DND-6de5dfa0-5
0.574
BEN-DND-6de5dfa0-14
0.571
BEN-DND-09b88bf4-4
0.565
BEN-DND-6de5dfa0-4
0.565
BEN-DND-6de5dfa0-15
0.563
BEN-DND-6de5dfa0-9
0.541
BEN-DND-22e6b372-1
0.534
MAK-UNK-6ca90168-26
0.517
BEN-DND-22e6b372-4
0.514
BEN-DND-6de5dfa0-8
0.513
BEN-DND-22e6b372-3
0.500
BEN-DND-6de5dfa0-19
0.500
EDJ-MED-3c65e9ce-2
0.486
BEN-DND-22e6b372-2
0.486
BEN-DND-6de5dfa0-20
0.479
BEN-DND-6de5dfa0-21
0.479
JAN-GHE-83b26c96-11
0.478
PET-SGC-fedd1f79-1
0.477
MAT-POS-590ac91e-6
0.471
ALE-HEI-f28a35b5-12
0.470
ASH-SAT-43770c7d-9
0.469
EDJ-MED-3c65e9ce-3
0.468
BEN-DND-6de5dfa0-23
0.464
MAK-UNK-7264f48c-3
0.458
SCO-VAN-260d9628-1
0.456
ALE-HEI-f28a35b5-17
0.456
EDJ-MED-c9f55a56-1
0.451
MAT-POS-590ac91e-11
0.448
MAT-POS-590ac91e-7
0.443
MAT-POS-590ac91e-9
0.443
AAR-POS-d2a4d1df-3
0.441
MAK-UNK-6435e6c2-8
0.441
BEN-DND-6de5dfa0-13
0.439
BEN-DND-93268d01-12
0.439
MAT-POS-590ac91e-23
0.437
MIH-UNI-6b9ca91a-1
0.437
ALE-HEI-f28a35b5-6
0.437
ALE-HEI-f28a35b5-3
0.437
TRY-UNI-714a760b-10
0.437
EDG-MED-0da5ad92-4
0.437
TRY-UNI-714a760b-5
0.435
MAT-POS-590ac91e-10
0.431
MAT-POS-590ac91e-24
0.431
BEN-DND-6de5dfa0-24
0.431
DAR-DIA-0cde14eb-63
0.430
PET-SGC-6e7c5dc0-1
0.429
BAR-COM-0f94fc3d-41
0.425
MAT-POS-590ac91e-15
0.425
BEN-DND-6de5dfa0-10
0.425
JOH-UNI-abfda500-6
0.425
ANN-UNI-98d2bf15-1
0.425
MAT-POS-590ac91e-17
0.425
SAD-SAT-7d5528d9-1
0.422
BAR-COM-0f94fc3d-18
0.420
MAK-UNK-902cc841-15
0.420
ALP-POS-95b75b4d-2
0.419
EDJ-MED-e58735b6-2
0.419
DAR-DIA-0cde14eb-61
0.418
DAR-DIA-0cde14eb-64
0.418
GAB-REV-70cc3ca5-21
0.417
DAR-DIA-0cde14eb-74
0.415
MAK-UNK-372b0df5-3
0.413
JAN-GHE-83b26c96-12
0.413
DAR-DIA-0cde14eb-62
0.412
BEN-DND-6de5dfa0-22
0.411
ALE-HEI-f28a35b5-10
0.411
MAR-TRE-6a44bbf2-27
0.408
EDG-MED-0da5ad92-9
0.408
MAK-UNK-6ca90168-27
0.406
TAT-ENA-80bfd3e5-30
0.405
TRY-UNI-2eddb1ff-2
0.405
EDG-MED-0da5ad92-8
0.405
MAT-POS-590ac91e-5
0.403
MAR-TRE-6a44bbf2-12
0.403
MAT-POS-590ac91e-25
0.403
TRY-UNI-714a760b-6
0.400