Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)C1(n2cccn2)CCNCC1 |
| MW: | 285.16 |
| Fraction sp3: | 0.4 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 71.84 |
| cLogP: | 1.3 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Mcule: | MCULE-7799011773 |
| MolPort: | MolPort-045-580-018 |
MAR-TRE-67513f76-61
0.554
MAR-TRE-7f7bb9f0-8
0.500
MAR-TRE-7f7bb9f0-38
0.464
MAT-POS-590ac91e-29
0.447
MAT-POS-590ac91e-4
0.432
AAR-POS-d2a4d1df-3
0.419
MAK-UNK-6435e6c2-8
0.419
MAT-POS-590ac91e-27
0.416
DAR-DIA-0cde14eb-69
0.415
EDG-MED-0da5ad92-11
0.412
DAR-DIA-0cde14eb-65
0.412
JAN-GHE-83b26c96-20
0.412
DAR-DIA-0cde14eb-68
0.412
MAT-POS-590ac91e-3
0.408
DAR-DIA-0cde14eb-67
0.407
DAR-DIA-0cde14eb-66
0.407
MAK-UNK-6ca90168-26
0.403
MAT-POS-590ac91e-6
0.392
MAK-UNK-6ca90168-27
0.388
BEN-DND-09b88bf4-4
0.388
BEN-DND-6de5dfa0-4
0.388
MAT-POS-590ac91e-9
0.387
DAR-DIA-0cde14eb-61
0.386
DAR-DIA-0cde14eb-64
0.386
DAR-DIA-0cde14eb-74
0.384
MAT-POS-590ac91e-22
0.382
MAT-POS-590ac91e-12
0.382
DAR-DIA-0cde14eb-62
0.381
DAR-DIA-0cde14eb-63
0.381
DAR-DIA-0cde14eb-70
0.381
ASH-UNK-40b46b30-11
0.381
BAR-COM-0f94fc3d-25
0.381
SCO-VAN-260d9628-1
0.378
ALE-HEI-f28a35b5-17
0.378
ASH-UNK-40b46b30-8
0.378
MAT-POS-590ac91e-24
0.377
DAR-DIA-0cde14eb-72
0.376
DAR-DIA-0cde14eb-73
0.376
SHA-LIV-041af2c0-1
0.376
DAR-DIA-0cde14eb-75
0.375
ERI-UCB-5b47150d-4
0.375
EDG-MED-0da5ad92-9
0.375
SAD-SAT-7d5528d9-4
0.374
MAK-UNK-902cc841-15
0.372
DAR-DIA-0cde14eb-71
0.372
BEN-DND-6de5dfa0-10
0.372
MAT-POS-590ac91e-21
0.372
MAT-POS-590ac91e-15
0.372
BEN-DND-22e6b372-3
0.370
ALE-HEI-f28a35b5-12
0.370
MAK-UNK-129dcd6f-15
0.369
DAR-DIA-0cde14eb-6
0.369
DAR-DIA-0cde14eb-8
0.369
BEN-DND-93268d01-5
0.367
EDJ-MED-3c65e9ce-4
0.367
MAT-POS-590ac91e-1
0.366
ASH-SAT-43770c7d-9
0.366
ERI-UCB-5b47150d-1
0.366
MAT-POS-590ac91e-2
0.366
CHR-SOS-1f323c23-10
0.366
ALE-HEI-f28a35b5-1
0.365
MAT-POS-5d20d11c-1
0.365
MAT-POS-590ac91e-16
0.365
TRY-UNI-714a760b-4
0.365
BEN-DND-09b88bf4-5
0.364
ABI-SAT-4d06482b-1
0.364
BEN-DND-93268d01-9
0.364
BEN-DND-93268d01-11
0.364
TRY-UNI-714a760b-10
0.364
ALE-HEI-f28a35b5-6
0.364
EDG-MED-0da5ad92-4
0.364
BEN-DND-22e6b372-4
0.362
DAR-DIA-0cde14eb-3
0.360
TRY-UNI-714a760b-5
0.360
JAN-GHE-83b26c96-11
0.360
MAT-POS-e501d84c-1
0.360
BEN-DND-93268d01-10
0.359
MAT-POS-590ac91e-26
0.359
DAR-DIA-0cde14eb-5
0.357
CHR-SOS-1f323c23-7
0.357
WAR-XCH-e55cba98-11
0.356
PET-SGC-6e7c5dc0-1
0.355
MAT-POS-590ac91e-19
0.355
MAT-POS-590ac91e-18
0.355
MAT-POS-590ac91e-17
0.354
EDJ-MED-3c65e9ce-1
0.354
BEN-DND-93268d01-8
0.354
MAT-POS-590ac91e-25
0.354
WAR-XCH-e55cba98-9
0.353
DAR-DIA-0cde14eb-1
0.353
DAR-DIA-0cde14eb-7
0.353
CHR-SOS-6c45c019-12
0.353
CHR-SOS-1f323c23-4
0.353
DAR-DIA-0cde14eb-11
0.352
ALE-HEI-f28a35b5-13
0.351
MAT-POS-590ac91e-11
0.351
MAT-POS-590ac91e-13
0.351
ALE-HEI-f28a35b5-7
0.351
ALE-HEI-f28a35b5-2
0.351
TRY-UNI-714a760b-11
0.351