Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CN1CCNC(=O)C1 |
| MW: | 248.13 |
| Fraction sp3: | 0.42 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 74.33 |
| cLogP: | -0.24 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
BEN-DND-09b88bf4-4
1.000
BEN-DND-6de5dfa0-5
0.672
BEN-DND-93268d01-10
0.609
BEN-DND-93268d01-9
0.594
BEN-DND-93268d01-11
0.594
BEN-DND-09b88bf4-5
0.594
EDJ-MED-3c65e9ce-4
0.591
EDJ-MED-3c65e9ce-1
0.576
BEN-DND-93268d01-8
0.576
BEN-DND-6de5dfa0-8
0.575
BEN-DND-03406596-7
0.565
BEN-DND-6de5dfa0-1
0.565
BEN-DND-09b88bf4-2
0.565
BEN-DND-6de5dfa0-9
0.562
NAU-LAT-3f5f3993-5
0.551
BEN-DND-09b88bf4-3
0.551
BEN-DND-6de5dfa0-3
0.551
BEN-DND-6de5dfa0-14
0.549
BEN-DND-22e6b372-2
0.549
NIR-THE-b7e8e081-1
0.543
BEN-DND-6de5dfa0-15
0.542
BEN-DND-22e6b372-4
0.536
BEN-DND-6de5dfa0-16
0.535
NIR-THE-b7e8e081-2
0.535
BEN-DND-09b88bf4-6
0.535
BEN-DND-6de5dfa0-7
0.535
BEN-DND-22e6b372-1
0.534
BEN-DND-22e6b372-3
0.521
BEN-DND-09b88bf4-8
0.521
BEN-DND-6de5dfa0-6
0.521
RED-SAT-26a928c9-1
0.500
ANU-UNK-2781581f-1
0.500
BEN-DND-6de5dfa0-2
0.494
BEN-DND-09b88bf4-1
0.494
MAK-UNK-6ca90168-26
0.492
ALE-HEI-f28a35b5-12
0.470
ASH-SAT-43770c7d-9
0.469
EDG-MED-0da5ad92-9
0.466
BEN-DND-09b88bf4-7
0.458
JAN-GHE-83b26c96-11
0.456
MAT-POS-590ac91e-6
0.449
MAT-POS-590ac91e-11
0.448
MAT-POS-590ac91e-7
0.443
MAT-POS-590ac91e-9
0.443
AAR-POS-d2a4d1df-3
0.441
MAK-UNK-6435e6c2-8
0.441
BEN-DND-93268d01-12
0.439
BEN-DND-6de5dfa0-13
0.439
ALE-HEI-f28a35b5-3
0.437
TRY-UNI-714a760b-10
0.437
ALE-HEI-f28a35b5-6
0.437
EDG-MED-0da5ad92-4
0.437
MAT-POS-590ac91e-23
0.437
TRY-UNI-714a760b-5
0.435
SAM-UNK-2684b532-9
0.434
JAN-GHE-83b26c96-12
0.432
ALE-HEI-f28a35b5-10
0.431
EDJ-MED-c9f55a56-1
0.431
MAT-POS-590ac91e-24
0.431
MAT-POS-590ac91e-10
0.431
PET-SGC-6e7c5dc0-1
0.429
ADA-UCB-6c2cb422-4
0.427
BAR-COM-0f94fc3d-41
0.425
MAT-POS-590ac91e-15
0.425
MAT-POS-590ac91e-17
0.425
SAD-SAT-7d5528d9-1
0.422
BAR-COM-0f94fc3d-18
0.420
BEN-DND-93268d01-5
0.419
ALP-POS-90c18d1d-1
0.417
MIH-UNI-6b9ca91a-1
0.417
GAB-REV-70cc3ca5-21
0.417
TRY-UNI-2eddb1ff-1
0.416
SCO-VAN-260d9628-1
0.414
ALE-HEI-f28a35b5-17
0.414
RAL-THA-901e9a10-2
0.414
DAR-DIA-0cde14eb-63
0.412
BAR-COM-0f94fc3d-48
0.409
MAK-UNK-6ca90168-27
0.406
TRY-UNI-2eddb1ff-2
0.405
JOH-UNI-abfda500-6
0.405
ANN-UNI-98d2bf15-1
0.405
EDG-MED-0da5ad92-8
0.405
MAT-POS-590ac91e-5
0.403
MAT-POS-590ac91e-25
0.403
RAL-THA-901e9a10-6
0.402
DAR-DIA-0cde14eb-61
0.400
JAN-GHE-83b26c96-13
0.400
TRY-UNI-714a760b-6
0.400
EDJ-MED-e58735b6-2
0.400
DAR-DIA-0cde14eb-64
0.400
GAB-REV-70cc3ca5-20
0.400
ALP-POS-95b75b4d-2
0.400
BRU-LEF-c49414a7-1
0.400
RAL-THA-901e9a10-7
0.400
BEN-DND-93268d01-13
0.400
PET-SGC-a8a902d9-1
0.398
JAN-GHE-83b26c96-14
0.397
ALP-POS-95b75b4d-3
0.397
DAR-DIA-0cde14eb-76
0.397
MAT-POS-590ac91e-12
0.397