Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CN1CCN(C)CC1=O |
| MW: | 262.14 |
| Fraction sp3: | 0.46 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 65.54 |
| cLogP: | 0.1 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
BEN-DND-93268d01-8
BEN-DND-22e6b372-1
0.701
BEN-DND-22e6b372-4
0.662
BEN-DND-22e6b372-3
0.642
BEN-DND-6de5dfa0-5
0.603
BEN-DND-09b88bf4-5
0.600
BEN-DND-93268d01-9
0.600
BEN-DND-6de5dfa0-4
0.549
BEN-DND-09b88bf4-4
0.549
BEN-DND-93268d01-11
0.529
ASH-SAT-43770c7d-9
0.524
BEN-DND-93268d01-10
0.522
EDJ-MED-3c65e9ce-1
0.514
BEN-DND-93268d01-8
0.514
EDJ-MED-3c65e9ce-4
0.507
BEN-DND-6de5dfa0-9
0.506
BEN-DND-09b88bf4-3
0.493
NAU-LAT-3f5f3993-5
0.493
BEN-DND-6de5dfa0-3
0.493
NIR-THE-b7e8e081-1
0.486
BEN-DND-03406596-7
0.486
BEN-DND-6de5dfa0-1
0.486
BEN-DND-09b88bf4-2
0.486
BEN-DND-6de5dfa0-13
0.481
BEN-DND-93268d01-12
0.481
BEN-DND-6de5dfa0-8
0.481
BEN-DND-6de5dfa0-7
0.480
NIR-THE-b7e8e081-2
0.480
BEN-DND-6de5dfa0-16
0.480
BEN-DND-09b88bf4-6
0.480
MAK-UNK-6ca90168-26
0.476
BEN-DND-6de5dfa0-14
0.474
BEN-DND-09b88bf4-8
0.468
BEN-DND-6de5dfa0-6
0.468
BEN-DND-6de5dfa0-15
0.468
SCO-VAN-260d9628-1
0.464
ALE-HEI-f28a35b5-17
0.464
ALE-HEI-f28a35b5-12
0.456
MAT-POS-590ac91e-15
0.452
MIH-UNI-6b9ca91a-1
0.444
TRY-UNI-714a760b-10
0.444
BEN-DND-09b88bf4-1
0.444
BEN-DND-6de5dfa0-2
0.444
MAT-POS-590ac91e-23
0.444
EDG-MED-0da5ad92-4
0.444
ALE-HEI-f28a35b5-6
0.444
MAT-POS-590ac91e-24
0.438
MAT-POS-590ac91e-6
0.437
TRY-UNI-714a760b-20
0.436
MAT-POS-590ac91e-11
0.435
RED-SAT-26a928c9-1
0.434
ANU-UNK-2781581f-1
0.434
BAR-COM-0f94fc3d-41
0.432
MAT-POS-590ac91e-9
0.431
MAT-POS-590ac91e-7
0.431
BAR-COM-0f94fc3d-18
0.427
ALP-POS-95b75b4d-2
0.427
AAR-POS-d2a4d1df-3
0.426
MAK-UNK-6435e6c2-8
0.426
ALP-POS-90c18d1d-1
0.424
TRY-UNI-2eddb1ff-1
0.423
TRY-UNI-714a760b-5
0.423
JAN-GHE-83b26c96-11
0.423
SIM-DEM-4fb93ec7-1
0.422
MAK-UNK-372b0df5-3
0.421
JAN-GHE-83b26c96-12
0.421
PET-SGC-a8a902d9-1
0.420
ERI-UCB-5b47150d-4
0.420
MAT-POS-590ac91e-10
0.419
DAR-DIA-0cde14eb-14
0.417
PET-SGC-6e7c5dc0-1
0.417
BAR-COM-0f94fc3d-48
0.416
EDG-MED-0da5ad92-9
0.416
DAR-DIA-0cde14eb-77
0.415
BEN-DND-09b88bf4-7
0.414
ANN-UNI-98d2bf15-1
0.413
MAT-POS-590ac91e-17
0.413
JOH-UNI-abfda500-6
0.413
SIM-DEM-2d7ee9fd-1
0.412
GAB-REV-70cc3ca5-19
0.410
TRY-UNI-9f475305-2
0.409
EDJ-MED-e58735b6-2
0.408
BEN-DND-93268d01-13
0.408
JAN-GHE-83b26c96-13
0.408
TRY-UNI-714a760b-6
0.408
DAR-DIA-0cde14eb-61
0.407
SAM-UNK-2684b532-9
0.407
ALE-HEI-f28a35b5-3
0.405
GAB-REV-70cc3ca5-21
0.405
DAR-DIA-0cde14eb-76
0.405
JAN-GHE-83b26c96-14
0.405
ALP-POS-95b75b4d-3
0.405
DAR-DIA-0cde14eb-74
0.405
ALP-POS-95b75b4d-1
0.403
DAR-DIA-0cde14eb-2
0.402
DAR-DIA-0cde14eb-63
0.402
EDJ-MED-c9f55a56-1
0.400
ALE-HEI-f28a35b5-10
0.400
SAD-SAT-7d5528d9-1
0.395
EDG-MED-0da5ad92-8
0.395
MAT-POS-590ac91e-8
0.395