Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CN1CCCC1=O |
| MW: | 233.12 |
| Fraction sp3: | 0.42 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 62.3 |
| cLogP: | 0.95 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Mcule: | MCULE-4080551845 |
BEN-DND-93268d01-8
BEN-DND-22e6b372-3
0.860
BEN-DND-22e6b372-2
0.662
BEN-DND-22e6b372-1
0.642
BEN-DND-6de5dfa0-13
0.589
BEN-DND-93268d01-12
0.589
BEN-DND-93268d01-11
0.587
BEN-DND-6de5dfa0-5
0.567
BEN-DND-93268d01-9
0.562
BEN-DND-09b88bf4-5
0.562
BEN-DND-93268d01-10
0.554
EDJ-MED-3c65e9ce-1
0.545
BEN-DND-93268d01-8
0.545
EDJ-MED-3c65e9ce-4
0.537
BEN-DND-6de5dfa0-4
0.536
BEN-DND-09b88bf4-4
0.536
BEN-DND-6de5dfa0-3
0.522
NAU-LAT-3f5f3993-5
0.522
BEN-DND-09b88bf4-3
0.522
TRY-UNI-714a760b-10
0.515
EDG-MED-0da5ad92-4
0.515
ALE-HEI-f28a35b5-6
0.515
NIR-THE-b7e8e081-1
0.514
BEN-DND-03406596-7
0.514
BEN-DND-09b88bf4-2
0.514
BEN-DND-6de5dfa0-1
0.514
BEN-DND-6de5dfa0-6
0.514
BEN-DND-09b88bf4-8
0.514
MAK-UNK-6ca90168-26
0.508
ASH-SAT-43770c7d-9
0.508
NIR-THE-b7e8e081-2
0.507
BEN-DND-6de5dfa0-7
0.507
BEN-DND-6de5dfa0-16
0.507
BEN-DND-09b88bf4-6
0.507
BEN-DND-6de5dfa0-14
0.500
RED-SAT-26a928c9-1
0.494
ANU-UNK-2781581f-1
0.494
BEN-DND-6de5dfa0-15
0.493
ALE-HEI-f28a35b5-12
0.484
EDG-MED-0da5ad92-9
0.479
BEN-DND-6de5dfa0-9
0.474
MAT-POS-590ac91e-23
0.471
BEN-DND-09b88bf4-1
0.468
BEN-DND-6de5dfa0-8
0.468
BEN-DND-6de5dfa0-2
0.468
MAT-POS-590ac91e-24
0.464
MAT-POS-590ac91e-6
0.463
MAT-POS-590ac91e-11
0.462
MAT-POS-590ac91e-15
0.457
AAR-POS-d2a4d1df-3
0.456
MAK-UNK-6435e6c2-8
0.456
MAT-POS-590ac91e-7
0.456
MAT-POS-590ac91e-9
0.456
BAR-COM-0f94fc3d-41
0.455
BEN-DND-09b88bf4-7
0.451
TRY-UNI-714a760b-6
0.451
ALP-POS-95b75b4d-2
0.451
BEN-DND-93268d01-13
0.451
GAB-REV-70cc3ca5-21
0.449
MIH-UNI-6b9ca91a-1
0.449
ALE-HEI-f28a35b5-3
0.449
BAR-COM-0f94fc3d-18
0.449
TRY-UNI-714a760b-5
0.448
JAN-GHE-83b26c96-11
0.448
ERI-UCB-5b47150d-4
0.446
ALP-POS-95b75b4d-3
0.446
JAN-GHE-83b26c96-14
0.446
DAR-DIA-0cde14eb-76
0.446
JAN-GHE-83b26c96-12
0.444
ALP-POS-90c18d1d-1
0.444
MAT-POS-590ac91e-10
0.443
PET-SGC-6e7c5dc0-1
0.441
MAT-POS-590ac91e-17
0.437
BAR-COM-0f94fc3d-48
0.435
MAT-POS-590ac91e-25
0.432
EDJ-MED-e58735b6-2
0.431
JAN-GHE-83b26c96-13
0.431
DAR-DIA-0cde14eb-18
0.430
DAR-DIA-0cde14eb-61
0.429
PET-SGC-05cff2e1-1
0.427
ALE-HEI-f28a35b5-17
0.426
SCO-VAN-260d9628-1
0.426
ALP-POS-95b75b4d-1
0.425
MAK-UNK-372b0df5-3
0.425
DAR-DIA-0cde14eb-62
0.423
DAR-DIA-0cde14eb-2
0.423
DAR-DIA-0cde14eb-63
0.423
EDJ-MED-c9f55a56-1
0.423
ALE-HEI-f28a35b5-10
0.423
MAK-UNK-6ca90168-27
0.419
DAR-DIA-0cde14eb-77
0.418
EDG-MED-0da5ad92-8
0.417
JOH-UNI-abfda500-6
0.417
ANN-UNI-98d2bf15-1
0.417
TRY-UNI-2eddb1ff-2
0.417
DAR-DIA-0cde14eb-79
0.416
GAB-REV-70cc3ca5-3
0.416
SAD-SAT-7d5528d9-1
0.415
MAT-POS-590ac91e-5
0.414
ERI-UCB-5b47150d-6
0.414
EDJ-MED-e58735b6-1
0.413