Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CN1CCn2c(cnc2C)C1 |
| 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-6de5dfa0-8
0.592
BEN-DND-6de5dfa0-5
0.592
BEN-DND-09b88bf4-5
0.565
BEN-DND-93268d01-9
0.565
EDJ-MED-3c65e9ce-4
0.563
BEN-DND-09b88bf4-4
0.562
BEN-DND-6de5dfa0-4
0.562
EDJ-MED-3c65e9ce-1
0.549
BEN-DND-93268d01-8
0.549
BEN-DND-93268d01-11
0.543
BEN-DND-03406596-7
0.541
BEN-DND-6de5dfa0-1
0.541
BEN-DND-09b88bf4-2
0.541
BEN-DND-93268d01-10
0.535
NIR-THE-b7e8e081-2
0.533
BEN-DND-6de5dfa0-16
0.533
BEN-DND-09b88bf4-3
0.527
BEN-DND-6de5dfa0-3
0.527
NAU-LAT-3f5f3993-5
0.527
NIR-THE-b7e8e081-1
0.520
BEN-DND-6de5dfa0-7
0.513
BEN-DND-09b88bf4-6
0.513
BEN-DND-22e6b372-2
0.506
BEN-DND-6de5dfa0-6
0.500
BEN-DND-09b88bf4-8
0.500
BEN-DND-6de5dfa0-14
0.487
BEN-DND-6de5dfa0-15
0.481
BEN-DND-6de5dfa0-2
0.476
BEN-DND-09b88bf4-1
0.476
BEN-DND-22e6b372-4
0.474
ANU-UNK-2781581f-1
0.464
RED-SAT-26a928c9-1
0.464
BEN-DND-22e6b372-3
0.462
BEN-DND-22e6b372-1
0.457
MAK-UNK-6ca90168-26
0.448
BEN-DND-09b88bf4-7
0.443
ALE-HEI-f28a35b5-12
0.431
MAT-POS-590ac91e-11
0.431
ASH-SAT-43770c7d-9
0.429
MAT-POS-590ac91e-7
0.427
BEN-DND-6de5dfa0-13
0.425
BEN-DND-93268d01-12
0.425
AAR-POS-d2a4d1df-3
0.422
MAK-UNK-6435e6c2-8
0.422
JAN-GHE-83b26c96-11
0.419
ALE-HEI-f28a35b5-10
0.416
MAT-POS-590ac91e-6
0.413
BAR-COM-0f94fc3d-41
0.412
JOH-UNI-abfda500-6
0.410
MAT-POS-590ac91e-17
0.410
ANN-UNI-98d2bf15-1
0.410
MAT-POS-590ac91e-9
0.408
EDJ-MED-e58735b6-1
0.407
BAR-COM-0f94fc3d-18
0.407
TRY-UNI-714a760b-10
0.403
MAT-POS-590ac91e-23
0.403
EDG-MED-0da5ad92-4
0.403
ALE-HEI-f28a35b5-6
0.403
TRY-UNI-714a760b-5
0.400
DAR-DIA-0cde14eb-63
0.400
MAT-POS-590ac91e-24
0.397
EDJ-MED-c9f55a56-1
0.397
MAT-POS-590ac91e-10
0.397
EDG-MED-0da5ad92-9
0.395
PET-SGC-6e7c5dc0-1
0.395
MAT-POS-590ac91e-15
0.392
SAM-UNK-2684b532-9
0.389
ALP-POS-90c18d1d-1
0.389
PET-SGC-fedd1f79-1
0.388
BEN-DND-93268d01-5
0.388
ALE-HEI-f28a35b5-3
0.385
MIH-UNI-6b9ca91a-1
0.385
GAB-REV-70cc3ca5-21
0.385
JAN-GHE-83b26c96-12
0.383
BEN-DND-93268d01-4
0.383
MAK-UNK-372b0df5-3
0.383
ALE-HEI-f28a35b5-17
0.382
SCO-VAN-260d9628-1
0.382
GAB-REV-70cc3ca5-13
0.378
SAD-SAT-7d5528d9-1
0.378
TRY-UNI-2eddb1ff-2
0.375
EDG-MED-0da5ad92-8
0.375
BEN-DND-6de5dfa0-10
0.375
BEN-DND-6de5dfa0-21
0.373
MAT-POS-590ac91e-25
0.373
PET-SGC-a8a902d9-1
0.372
DAR-DIA-0cde14eb-61
0.372
DAR-DIA-0cde14eb-64
0.372
ANN-UNI-98d2bf15-5
0.372
MAT-POS-590ac91e-5
0.372
TRY-UNI-714a760b-11
0.372
ALE-HEI-f28a35b5-7
0.372
MAK-UNK-6ca90168-27
0.371
EDJ-MED-e58735b6-2
0.370
BEN-DND-93268d01-13
0.370
ALP-POS-95b75b4d-2
0.370
JAN-GHE-83b26c96-13
0.370
TRY-UNI-714a760b-6
0.370
NAU-LAT-3f5f3993-2
0.370
GAB-REV-70cc3ca5-20
0.370