Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CN1CCN(C)CC1C(=O)Nc1cnccc1C |
| MW: | 305.19 |
| Fraction sp3: | 0.53 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 77.57 |
| cLogP: | -0.31 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
BEN-DND-09b88bf4-5
0.467
BEN-DND-93268d01-9
0.467
BEN-DND-93268d01-11
0.429
BEN-DND-6de5dfa0-12
0.427
SCO-VAN-260d9628-1
0.427
ALE-HEI-f28a35b5-17
0.427
BEN-DND-22e6b372-2
0.422
MAT-POS-590ac91e-8
0.418
ERI-UCB-5b47150d-6
0.416
EDJ-MED-3c65e9ce-4
0.412
MAT-POS-590ac91e-12
0.410
MAT-POS-590ac91e-22
0.410
BEN-DND-93268d01-10
0.405
MAT-POS-590ac91e-18
0.403
MAT-POS-590ac91e-19
0.403
BEN-DND-6de5dfa0-5
0.402
MAK-UNK-6ca90168-27
0.400
SIM-DEM-2d7ee9fd-1
0.400
EDJ-MED-3c65e9ce-1
0.400
BEN-DND-93268d01-8
0.400
MAK-UNK-372b0df5-1
0.398
ASH-SAT-43770c7d-9
0.397
MAK-UNK-6ca90168-26
0.394
DAR-DIA-6a508060-12
0.392
MAT-POS-590ac91e-23
0.392
ALE-HEI-f28a35b5-6
0.392
EDG-MED-0da5ad92-4
0.392
TRY-UNI-714a760b-10
0.392
BEN-DND-22e6b372-4
0.390
MAT-POS-590ac91e-14
0.390
BEN-DND-6de5dfa0-14
0.388
MAK-UNK-6435e6c2-8
0.388
AAR-POS-d2a4d1df-3
0.388
MAT-POS-590ac91e-24
0.388
MAT-POS-590ac91e-26
0.388
MAT-POS-590ac91e-10
0.388
NAU-LAT-3f5f3993-5
0.386
BEN-DND-6de5dfa0-3
0.386
BEN-DND-09b88bf4-3
0.386
BEN-DND-6de5dfa0-15
0.384
MAT-POS-590ac91e-21
0.383
ALE-HEI-f28a35b5-12
0.382
BEN-DND-09b88bf4-2
0.381
BEN-DND-6de5dfa0-4
0.381
BEN-DND-22e6b372-3
0.381
NIR-THE-b7e8e081-1
0.381
BEN-DND-03406596-7
0.381
BEN-DND-09b88bf4-4
0.381
BEN-DND-6de5dfa0-1
0.381
MAT-POS-590ac91e-7
0.380
MAT-POS-590ac91e-5
0.380
BEN-DND-09b88bf4-6
0.376
NIR-THE-b7e8e081-2
0.376
BEN-DND-6de5dfa0-16
0.376
BEN-DND-6de5dfa0-7
0.376
MAK-UNK-372b0df5-3
0.373
SAD-SAT-7d5528d9-7
0.372
BAR-COM-0f94fc3d-41
0.371
MAT-POS-590ac91e-28
0.369
EDG-MED-0da5ad92-9
0.369
ERI-UCB-5b47150d-4
0.368
BEN-DND-6de5dfa0-6
0.368
BEN-DND-09b88bf4-8
0.368
MAT-POS-590ac91e-6
0.367
BAR-COM-0f94fc3d-18
0.367
MAT-POS-590ac91e-15
0.366
MAT-POS-590ac91e-11
0.364
BEN-DND-22e6b372-1
0.364
MAT-POS-590ac91e-9
0.362
BEN-DND-93268d01-13
0.361
NAU-LAT-3f5f3993-2
0.361
RED-SAT-26a928c9-1
0.359
ANU-UNK-2781581f-1
0.359
MIH-UNI-6b9ca91a-1
0.358
GAB-REV-70cc3ca5-21
0.358
BEN-DND-6de5dfa0-9
0.356
BEN-DND-93268d01-12
0.355
BEN-DND-6de5dfa0-13
0.355
TRY-UNI-714a760b-5
0.354
JAN-GHE-83b26c96-11
0.354
ALE-HEI-f28a35b5-10
0.354
GAB-REV-70cc3ca5-3
0.352
BEN-DND-6de5dfa0-2
0.352
BEN-DND-6de5dfa0-8
0.352
BEN-DND-09b88bf4-1
0.352
ALP-POS-90c18d1d-1
0.351
PET-SGC-a8a902d9-1
0.351
PET-SGC-6e7c5dc0-1
0.350
ALE-HEI-f28a35b5-11
0.349
BEN-DND-6de5dfa0-10
0.349
MAT-POS-590ac91e-17
0.349
MAT-POS-590ac91e-25
0.349
MAT-POS-590ac91e-13
0.346
ALE-HEI-f28a35b5-13
0.346
TRY-UNI-714a760b-11
0.346
ALE-HEI-f28a35b5-7
0.346
ALP-POS-95b75b4d-2
0.345
GAB-REV-70cc3ca5-20
0.345
TRY-UNI-2eddb1ff-1
0.345
SAM-UNK-2684b532-8
0.344