Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CN1CCn2c(C)cnc2C1 |
| MW: | 285.16 |
| Fraction sp3: | 0.4 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 63.05 |
| cLogP: | 1.35 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
BEN-DND-6de5dfa0-9
0.592
BEN-DND-6de5dfa0-5
0.583
BEN-DND-09b88bf4-4
0.575
BEN-DND-6de5dfa0-4
0.575
BEN-DND-09b88bf4-5
0.557
BEN-DND-93268d01-9
0.557
EDJ-MED-3c65e9ce-1
0.542
BEN-DND-93268d01-8
0.542
BEN-DND-93268d01-11
0.535
EDJ-MED-3c65e9ce-4
0.534
BEN-DND-93268d01-10
0.528
BEN-DND-09b88bf4-3
0.520
NAU-LAT-3f5f3993-5
0.520
BEN-DND-6de5dfa0-3
0.520
BEN-DND-09b88bf4-2
0.513
BEN-DND-6de5dfa0-1
0.513
NIR-THE-b7e8e081-1
0.513
BEN-DND-03406596-7
0.513
BEN-DND-09b88bf4-8
0.513
BEN-DND-09b88bf4-6
0.506
BEN-DND-6de5dfa0-7
0.506
NIR-THE-b7e8e081-2
0.506
BEN-DND-6de5dfa0-16
0.506
BEN-DND-6de5dfa0-6
0.494
BEN-DND-6de5dfa0-14
0.481
BEN-DND-22e6b372-2
0.481
BEN-DND-6de5dfa0-15
0.475
BEN-DND-6de5dfa0-2
0.470
BEN-DND-09b88bf4-1
0.470
BEN-DND-22e6b372-4
0.468
ANU-UNK-2781581f-1
0.459
RED-SAT-26a928c9-1
0.459
BEN-DND-22e6b372-3
0.456
BEN-DND-22e6b372-1
0.451
MAK-UNK-6ca90168-26
0.441
BEN-DND-09b88bf4-7
0.438
JAN-GHE-83b26c96-11
0.432
ALE-HEI-f28a35b5-12
0.425
MAT-POS-590ac91e-11
0.425
ASH-SAT-43770c7d-9
0.423
MAT-POS-590ac91e-7
0.421
MAT-POS-590ac91e-23
0.416
AAR-POS-d2a4d1df-3
0.415
MAK-UNK-6435e6c2-8
0.415
TRY-UNI-714a760b-5
0.413
MAT-POS-590ac91e-10
0.410
MAT-POS-590ac91e-6
0.408
BEN-DND-93268d01-12
0.404
BEN-DND-6de5dfa0-13
0.404
MAT-POS-590ac91e-9
0.403
ALP-POS-90c18d1d-1
0.400
PET-SGC-a8a902d9-1
0.398
ALE-HEI-f28a35b5-6
0.397
TRY-UNI-714a760b-10
0.397
EDG-MED-0da5ad92-4
0.397
EDJ-MED-c9f55a56-1
0.392
MAT-POS-590ac91e-24
0.392
BAR-COM-0f94fc3d-41
0.391
PET-SGC-6e7c5dc0-1
0.390
MAT-POS-590ac91e-15
0.388
MAT-POS-590ac91e-17
0.388
BAR-COM-0f94fc3d-18
0.386
SAM-UNK-2684b532-9
0.385
DAR-DIA-0cde14eb-64
0.384
GAB-REV-70cc3ca5-20
0.383
ALE-HEI-f28a35b5-3
0.380
MIH-UNI-6b9ca91a-1
0.380
GAB-REV-70cc3ca5-21
0.380
DAR-DIA-0cde14eb-63
0.379
BEN-DND-93268d01-4
0.378
ALP-POS-95b75b4d-1
0.378
JAN-GHE-83b26c96-12
0.378
MAK-UNK-372b0df5-3
0.378
ALE-HEI-f28a35b5-17
0.377
SCO-VAN-260d9628-1
0.377
ALE-HEI-f28a35b5-10
0.375
SAD-SAT-7d5528d9-1
0.374
EDG-MED-0da5ad92-9
0.373
TRY-UNI-2eddb1ff-2
0.370
EDG-MED-0da5ad92-8
0.370
JOH-UNI-abfda500-6
0.370
MAT-POS-590ac91e-8
0.370
ANN-UNI-98d2bf15-1
0.370
PET-SGC-fedd1f79-1
0.370
MAT-POS-590ac91e-25
0.369
DAR-DIA-0cde14eb-61
0.368
SIM-DEM-163f01e0-1
0.367
MAT-POS-590ac91e-5
0.367
ERI-UCB-5b47150d-6
0.367
MAK-UNK-6ca90168-27
0.366
TRY-UNI-714a760b-6
0.366
JAN-GHE-83b26c96-13
0.366
ALP-POS-95b75b4d-2
0.366
BEN-DND-93268d01-13
0.366
BEN-DND-93268d01-5
0.366
NAU-LAT-3f5f3993-2
0.366
EDJ-MED-e58735b6-2
0.366
BEN-DND-6de5dfa0-19
0.366
BAR-COM-0f94fc3d-48
0.365
DOU-UNK-b5326f8f-18
0.365