Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CN1CCN(C(=O)c2ccccc2)CC1 |
| MW: | 338.17 |
| Fraction sp3: | 0.32 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 65.54 |
| cLogP: | 1.79 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
BEN-DND-6de5dfa0-2
1.000
EDJ-MED-3c65e9ce-1
0.682
BEN-DND-93268d01-8
0.682
RED-SAT-26a928c9-1
0.653
ANU-UNK-2781581f-1
0.653
NIR-THE-b7e8e081-1
0.643
BEN-DND-03406596-7
0.643
BEN-DND-09b88bf4-2
0.643
BEN-DND-6de5dfa0-1
0.643
BEN-DND-6de5dfa0-7
0.634
NIR-THE-b7e8e081-2
0.634
BEN-DND-6de5dfa0-16
0.634
BEN-DND-09b88bf4-6
0.634
BEN-DND-09b88bf4-5
0.627
BEN-DND-93268d01-9
0.627
BEN-DND-09b88bf4-7
0.620
BEN-DND-09b88bf4-8
0.616
BEN-DND-6de5dfa0-6
0.595
BEN-DND-09b88bf4-3
0.583
BEN-DND-6de5dfa0-3
0.583
NAU-LAT-3f5f3993-5
0.583
BEN-DND-93268d01-11
0.580
BEN-DND-93268d01-10
0.571
EDJ-MED-3c65e9ce-4
0.556
BEN-DND-6de5dfa0-5
0.520
BEN-DND-6de5dfa0-14
0.519
BEN-DND-6de5dfa0-15
0.513
BEN-DND-09b88bf4-4
0.494
BEN-DND-6de5dfa0-4
0.494
EDJ-MED-3c65e9ce-3
0.481
BEN-DND-6de5dfa0-9
0.476
BEN-DND-6de5dfa0-19
0.474
TRY-UNI-714a760b-5
0.472
BEN-DND-6de5dfa0-8
0.470
BEN-DND-22e6b372-1
0.469
BEN-DND-22e6b372-4
0.468
MAK-UNK-6ca90168-26
0.463
BEN-DND-22e6b372-3
0.456
EDJ-MED-3c65e9ce-2
0.444
BEN-DND-22e6b372-2
0.444
ASH-SAT-43770c7d-9
0.443
BEN-DND-6de5dfa0-21
0.438
BEN-DND-6de5dfa0-20
0.438
BEN-DND-6de5dfa0-13
0.437
BEN-DND-93268d01-12
0.437
BEN-DND-93268d01-13
0.436
WAR-XCH-e55cba98-11
0.435
JAN-GHE-83b26c96-11
0.432
ALP-POS-90c18d1d-1
0.432
MAT-POS-590ac91e-6
0.427
ALE-HEI-f28a35b5-12
0.425
BEN-DND-6de5dfa0-23
0.421
TRY-UNI-714a760b-4
0.419
ALE-HEI-f28a35b5-1
0.419
WIL-WAB-6ef46ddb-1
0.419
PET-SGC-d5b502b1-1
0.419
BEN-DND-93268d01-14
0.418
ALE-HEI-f28a35b5-17
0.413
SCO-VAN-260d9628-1
0.413
PET-SGC-fedd1f79-1
0.412
EDJ-MED-c9f55a56-1
0.410
NAU-LAT-a5c7d7cb-1
0.410
ALP-POS-6747fa38-1
0.410
NIR-THE-d08c3b48-1
0.410
BEN-DND-6de5dfa0-11
0.410
VLA-UCB-05e51b3f-1
0.410
MAT-POS-590ac91e-11
0.405
JOH-UNI-abfda500-6
0.405
ANN-UNI-98d2bf15-1
0.405
MAT-POS-590ac91e-9
0.403
MAT-POS-590ac91e-7
0.403
MAK-UNK-902cc841-15
0.402
SAM-UNK-2684b532-9
0.400
ALP-POS-95b75b4d-2
0.400
NAU-LAT-3f5f3993-1
0.398
ANN-UNI-98d2bf15-2
0.398
MIH-UNI-6b9ca91a-1
0.397
MAT-POS-590ac91e-23
0.397
EDG-MED-0da5ad92-4
0.397
ALE-HEI-f28a35b5-6
0.397
TRY-UNI-714a760b-10
0.397
MAK-UNK-372b0df5-3
0.395
JAN-GHE-83b26c96-12
0.395
BEN-DND-93268d01-4
0.395
MAK-UNK-6435e6c2-8
0.394
AAR-POS-d2a4d1df-3
0.394
BEN-DND-6de5dfa0-24
0.392
MAT-POS-590ac91e-10
0.392
BEN-DND-93268d01-3
0.392
MAT-POS-590ac91e-24
0.392
MAK-UNK-7264f48c-3
0.391
BAR-COM-0f94fc3d-41
0.391
PET-SGC-6e7c5dc0-1
0.390
SAD-SAT-7d5528d9-1
0.389
CHR-SOS-1f323c23-7
0.388
MAT-POS-f42f3716-8
0.388
MAT-POS-590ac91e-15
0.388
MAT-POS-590ac91e-17
0.388
BEN-DND-6de5dfa0-10
0.388
BAR-COM-0f94fc3d-18
0.386