Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CN1CCN(C)C(=O)C1 |
| MW: | 262.14 |
| Fraction sp3: | 0.46 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 65.54 |
| cLogP: | 0.1 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
BEN-DND-6de5dfa0-4
0.672
BEN-DND-09b88bf4-4
0.672
BEN-DND-09b88bf4-5
0.656
BEN-DND-93268d01-9
0.656
EDJ-MED-3c65e9ce-1
0.609
BEN-DND-93268d01-8
0.609
BEN-DND-93268d01-11
0.603
BEN-DND-22e6b372-2
0.603
EDJ-MED-3c65e9ce-4
0.600
BEN-DND-93268d01-10
0.594
BEN-DND-6de5dfa0-9
0.592
BEN-DND-6de5dfa0-8
0.583
BEN-DND-6de5dfa0-3
0.582
NAU-LAT-3f5f3993-5
0.582
BEN-DND-09b88bf4-3
0.582
BEN-DND-6de5dfa0-1
0.574
NIR-THE-b7e8e081-1
0.574
BEN-DND-09b88bf4-2
0.574
BEN-DND-03406596-7
0.574
BEN-DND-22e6b372-4
0.567
BEN-DND-6de5dfa0-7
0.565
BEN-DND-09b88bf4-6
0.565
BEN-DND-6de5dfa0-16
0.565
NIR-THE-b7e8e081-2
0.565
BEN-DND-22e6b372-3
0.551
BEN-DND-09b88bf4-8
0.549
BEN-DND-6de5dfa0-6
0.549
BEN-DND-22e6b372-1
0.542
BEN-DND-6de5dfa0-14
0.535
BEN-DND-6de5dfa0-15
0.528
BEN-DND-6de5dfa0-2
0.520
BEN-DND-09b88bf4-1
0.520
RED-SAT-26a928c9-1
0.506
ANU-UNK-2781581f-1
0.506
MAK-UNK-6ca90168-26
0.500
BEN-DND-09b88bf4-7
0.481
ALE-HEI-f28a35b5-12
0.477
ASH-SAT-43770c7d-9
0.476
JAN-GHE-83b26c96-11
0.463
MAT-POS-590ac91e-6
0.456
MAT-POS-590ac91e-11
0.455
MAT-POS-590ac91e-17
0.451
MAT-POS-590ac91e-7
0.449
MAT-POS-590ac91e-9
0.449
AAR-POS-d2a4d1df-3
0.448
MAK-UNK-6435e6c2-8
0.448
BEN-DND-6de5dfa0-13
0.444
BEN-DND-93268d01-12
0.444
ALE-HEI-f28a35b5-6
0.443
EDG-MED-0da5ad92-4
0.443
MAT-POS-590ac91e-23
0.443
TRY-UNI-714a760b-10
0.443
ALE-HEI-f28a35b5-17
0.441
SCO-VAN-260d9628-1
0.441
TRY-UNI-714a760b-5
0.441
SAM-UNK-2684b532-9
0.439
JAN-GHE-83b26c96-12
0.438
MAT-POS-590ac91e-24
0.437
MAT-POS-590ac91e-10
0.437
EDJ-MED-c9f55a56-1
0.437
PET-SGC-6e7c5dc0-1
0.435
EDG-MED-0da5ad92-9
0.432
MAT-POS-590ac91e-15
0.431
BAR-COM-0f94fc3d-41
0.430
BAR-COM-0f94fc3d-48
0.430
SAD-SAT-7d5528d9-1
0.427
BAR-COM-0f94fc3d-18
0.425
JAN-GHE-83b26c96-13
0.425
TRY-UNI-714a760b-6
0.425
ALP-POS-95b75b4d-2
0.425
EDJ-MED-e58735b6-2
0.425
GAB-REV-70cc3ca5-21
0.423
ALE-HEI-f28a35b5-3
0.423
MIH-UNI-6b9ca91a-1
0.423
ALP-POS-95b75b4d-1
0.419
MAK-UNK-372b0df5-3
0.419
BEN-DND-93268d01-4
0.419
DAR-DIA-0cde14eb-63
0.418
PET-SGC-fedd1f79-1
0.418
ALE-HEI-f28a35b5-10
0.417
MAK-UNK-6ca90168-27
0.413
MAT-POS-590ac91e-8
0.411
TRY-UNI-2eddb1ff-2
0.411
EDG-MED-0da5ad92-8
0.411
ANN-UNI-98d2bf15-1
0.411
JOH-UNI-abfda500-6
0.411
DAR-DIA-0cde14eb-78
0.410
SIM-DEM-2d7ee9fd-1
0.410
MAT-POS-590ac91e-5
0.408
MAT-POS-590ac91e-25
0.408
EDJ-MED-e58735b6-1
0.408
BEN-DND-93268d01-5
0.405
GAB-REV-70cc3ca5-20
0.405
BEN-DND-93268d01-13
0.405
ANN-UNI-98d2bf15-5
0.405
DAR-DIA-0cde14eb-61
0.405
DAR-DIA-0cde14eb-64
0.405
DAR-DIA-0cde14eb-1
0.405
ALP-POS-95b75b4d-4
0.405
ALP-POS-90c18d1d-1
0.405