Molecule Details
| Molecular Properties | |
| SMILES: | CC(=O)NC1CCN(CC(=O)Nc2cnccc2C)CC1 |
| MW: | 290.17 |
| Fraction sp3: | 0.53 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 74.33 |
| cLogP: | 0.93 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
EDJ-MED-3c65e9ce-4
0.698
BEN-DND-6de5dfa0-15
0.662
BEN-DND-93268d01-8
0.631
EDJ-MED-3c65e9ce-1
0.631
BEN-DND-09b88bf4-5
0.625
BEN-DND-93268d01-9
0.625
BEN-DND-93268d01-11
0.625
BEN-DND-93268d01-10
0.615
BEN-DND-6de5dfa0-3
0.580
NAU-LAT-3f5f3993-5
0.580
BEN-DND-09b88bf4-3
0.580
BEN-DND-09b88bf4-2
0.571
BEN-DND-03406596-7
0.571
NIR-THE-b7e8e081-1
0.571
BEN-DND-6de5dfa0-1
0.571
BEN-DND-6de5dfa0-6
0.569
BEN-DND-6de5dfa0-7
0.563
BEN-DND-09b88bf4-6
0.563
BEN-DND-6de5dfa0-16
0.563
NIR-THE-b7e8e081-2
0.563
BEN-DND-09b88bf4-4
0.549
BEN-DND-6de5dfa0-4
0.549
BEN-DND-09b88bf4-8
0.548
BEN-DND-6de5dfa0-5
0.535
ANU-UNK-2781581f-1
0.526
RED-SAT-26a928c9-1
0.526
BEN-DND-6de5dfa0-2
0.519
BEN-DND-09b88bf4-1
0.519
NAU-LAT-3f5f3993-2
0.507
BEN-DND-22e6b372-4
0.500
BEN-DND-6de5dfa0-9
0.487
BEN-DND-22e6b372-3
0.486
BEN-DND-09b88bf4-7
0.482
BEN-DND-6de5dfa0-8
0.481
BEN-DND-22e6b372-1
0.481
MAK-UNK-6ca90168-26
0.476
AAR-POS-d2a4d1df-3
0.475
MAK-UNK-6435e6c2-8
0.475
BEN-DND-22e6b372-2
0.474
MAT-POS-590ac91e-7
0.471
TRY-UNI-714a760b-10
0.465
ALE-HEI-f28a35b5-6
0.465
EDG-MED-0da5ad92-4
0.465
MAT-POS-590ac91e-10
0.458
MAT-POS-590ac91e-6
0.457
ALE-HEI-f28a35b5-12
0.456
ASH-SAT-43770c7d-9
0.455
EDG-MED-0da5ad92-9
0.453
TRY-UNI-714a760b-11
0.451
ALE-HEI-f28a35b5-7
0.451
GAB-REV-70cc3ca5-21
0.444
MAT-POS-590ac91e-23
0.444
JAN-GHE-83b26c96-11
0.443
SAM-UNK-2684b532-9
0.440
MAT-POS-590ac91e-24
0.438
PET-SGC-6e7c5dc0-1
0.437
EDJ-MED-3c65e9ce-2
0.436
MAT-POS-590ac91e-11
0.435
BEN-DND-6de5dfa0-10
0.432
MAT-POS-590ac91e-9
0.431
MAT-POS-590ac91e-5
0.431
BEN-DND-93268d01-12
0.429
MAT-POS-590ac91e-25
0.429
BEN-DND-6de5dfa0-13
0.429
ALP-POS-90c18d1d-1
0.424
TRY-UNI-714a760b-5
0.423
JAN-GHE-83b26c96-12
0.421
MAK-UNK-372b0df5-3
0.421
ALE-HEI-f28a35b5-10
0.419
EDJ-MED-c9f55a56-1
0.419
DOU-UNK-b5326f8f-18
0.416
MAK-UNK-6ca90168-27
0.415
BAR-COM-0f94fc3d-41
0.415
MAT-POS-590ac91e-15
0.413
BEN-DND-6de5dfa0-21
0.410
BAR-COM-0f94fc3d-18
0.410
BEN-DND-6de5dfa0-19
0.408
ALP-POS-95b75b4d-2
0.408
ALP-POS-95b75b4d-4
0.407
MIH-UNI-6b9ca91a-1
0.405
ALE-HEI-f28a35b5-3
0.405
PET-SGC-a8a902d9-1
0.404
DAR-DIA-03336633-6
0.404
ALE-HEI-f28a35b5-17
0.403
SCO-VAN-260d9628-1
0.403
DAR-DIA-0cde14eb-63
0.402
TRY-UNI-9f475305-1
0.402
ERI-UCB-5b47150d-4
0.400
SAM-UNK-2684b532-8
0.400
MAK-UNK-7264f48c-3
0.398
GAB-REV-70cc3ca5-13
0.397
MAT-POS-590ac91e-18
0.397
MAT-POS-590ac91e-19
0.397
SAD-SAT-7d5528d9-1
0.395
SIM-DEM-2d7ee9fd-1
0.395
MAT-POS-590ac91e-17
0.395
ANN-UNI-98d2bf15-1
0.395
TRY-UNI-2eddb1ff-2
0.395
TRY-UNI-714a760b-16
0.395
MAT-POS-590ac91e-21
0.395