Molecule Details
| Molecular Properties | |
| SMILES: | CC(=O)N(C)C1CCN(CC(=O)Nc2cnccc2C)CC1 |
| MW: | 304.19 |
| Fraction sp3: | 0.56 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 65.54 |
| cLogP: | 1.27 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
EDJ-MED-3c65e9ce-4
0.688
BEN-DND-6de5dfa0-14
0.662
BEN-DND-93268d01-8
0.621
EDJ-MED-3c65e9ce-1
0.621
BEN-DND-93268d01-11
0.615
BEN-DND-09b88bf4-5
0.615
BEN-DND-93268d01-9
0.615
BEN-DND-93268d01-10
0.606
BEN-DND-09b88bf4-3
0.571
BEN-DND-6de5dfa0-3
0.571
NAU-LAT-3f5f3993-5
0.571
BEN-DND-09b88bf4-2
0.563
NIR-THE-b7e8e081-1
0.563
BEN-DND-6de5dfa0-1
0.563
BEN-DND-03406596-7
0.563
BEN-DND-09b88bf4-8
0.562
BEN-DND-6de5dfa0-6
0.562
BEN-DND-6de5dfa0-16
0.556
BEN-DND-6de5dfa0-7
0.556
NIR-THE-b7e8e081-2
0.556
BEN-DND-09b88bf4-6
0.556
BEN-DND-09b88bf4-4
0.542
BEN-DND-6de5dfa0-4
0.542
BEN-DND-6de5dfa0-5
0.528
ANU-UNK-2781581f-1
0.519
RED-SAT-26a928c9-1
0.519
BEN-DND-6de5dfa0-2
0.513
BEN-DND-09b88bf4-1
0.513
BEN-DND-22e6b372-4
0.493
BEN-DND-6de5dfa0-9
0.481
BEN-DND-22e6b372-3
0.480
BEN-DND-09b88bf4-7
0.476
BEN-DND-6de5dfa0-8
0.475
BEN-DND-22e6b372-1
0.474
MAK-UNK-6ca90168-26
0.469
BEN-DND-22e6b372-2
0.468
MAT-POS-590ac91e-7
0.465
ALE-HEI-f28a35b5-6
0.458
TRY-UNI-714a760b-10
0.458
EDG-MED-0da5ad92-4
0.458
MAT-POS-590ac91e-10
0.452
MAT-POS-590ac91e-6
0.451
MAT-POS-590ac91e-11
0.449
ALE-HEI-f28a35b5-12
0.449
ASH-SAT-43770c7d-9
0.448
MAK-UNK-6435e6c2-8
0.443
AAR-POS-d2a4d1df-3
0.443
BAR-COM-0f94fc3d-18
0.439
MAT-POS-590ac91e-23
0.438
GAB-REV-70cc3ca5-21
0.438
JAN-GHE-83b26c96-11
0.437
SAM-UNK-2684b532-9
0.435
MAT-POS-590ac91e-24
0.432
EDJ-MED-3c65e9ce-2
0.430
EDG-MED-0da5ad92-9
0.429
BAR-COM-0f94fc3d-41
0.427
MAT-POS-590ac91e-5
0.425
MAT-POS-590ac91e-9
0.425
BEN-DND-6de5dfa0-13
0.424
BEN-DND-93268d01-12
0.424
MAT-POS-590ac91e-25
0.423
GAB-REV-70cc3ca5-19
0.422
NAU-LAT-3f5f3993-2
0.421
ALP-POS-90c18d1d-1
0.419
TRY-UNI-714a760b-5
0.417
NAU-LAT-3f5f3993-1
0.417
PET-SGC-a8a902d9-1
0.416
MAK-UNK-372b0df5-3
0.416
ALE-HEI-f28a35b5-10
0.413
DOU-UNK-b5326f8f-18
0.411
PET-SGC-6e7c5dc0-1
0.411
MAK-UNK-6ca90168-27
0.409
MAT-POS-590ac91e-15
0.408
MAT-POS-590ac91e-17
0.408
SAD-SAT-7d5528d9-1
0.407
BEN-DND-6de5dfa0-20
0.405
ALP-POS-95b75b4d-2
0.403
BEN-DND-93268d01-5
0.403
BEN-DND-6de5dfa0-19
0.403
ALP-POS-95b75b4d-4
0.402
MIH-UNI-6b9ca91a-1
0.400
RAL-THA-901e9a10-2
0.400
ALE-HEI-f28a35b5-3
0.400
TRY-UNI-9f475305-1
0.398
DAR-DIA-0cde14eb-63
0.398
ALP-POS-95b75b4d-1
0.397
BEN-DND-93268d01-4
0.397
JAN-GHE-83b26c96-12
0.397
ALE-HEI-f28a35b5-17
0.397
SCO-VAN-260d9628-1
0.397
BAR-COM-0f94fc3d-48
0.396
SAM-UNK-2684b532-8
0.395
BEN-DND-93268d01-6
0.395
EDJ-MED-c9f55a56-1
0.395
ERI-UCB-5b47150d-4
0.394
SAD-SAT-7d5528d9-7
0.393
RAL-THA-901e9a10-1
0.393
MAT-POS-590ac91e-19
0.392
MAT-POS-590ac91e-18
0.392
MAT-POS-c9973a83-1
0.390