Molecule Details
| Molecular Properties | |
| SMILES: | C=CC(=O)Nc1cnccc1C |
| MW: | 162.08 |
| Fraction sp3: | 0.11 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 2 |
| TPSA: | 41.99 |
| cLogP: | 1.51 |
| Covalent Warhead: | ✔️ |
| Covalent Fragment: | ✔️ |
| Source | |
| Mcule: | MCULE-7823851331 |
| MolPort: | MolPort-011-131-332 |
AAR-POS-d2a4d1df-24
AAR-POS-d2a4d1df-3
0.634
MAK-UNK-6435e6c2-8
0.634
LON-WEI-af038623-7
0.604
MAK-UNK-6ca90168-26
0.553
ERI-UCB-5b47150d-1
0.520
MAT-POS-590ac91e-2
0.520
ASH-SAT-43770c7d-9
0.520
MAT-POS-590ac91e-1
0.520
ALE-HEI-f28a35b5-12
0.519
MAT-POS-590ac91e-19
0.519
MAT-POS-590ac91e-5
0.509
ERI-UCB-5b47150d-6
0.509
MAT-POS-590ac91e-23
0.500
ERI-UCB-5b47150d-4
0.500
ALE-HEI-f28a35b5-6
0.500
NIR-THE-b7e8e081-1
0.500
TRY-UNI-714a760b-10
0.500
EDG-MED-0da5ad92-4
0.500
MAT-POS-590ac91e-24
0.491
MAT-POS-590ac91e-26
0.491
MAT-POS-590ac91e-18
0.491
PET-SGC-6e7c5dc0-1
0.491
MAT-POS-590ac91e-13
0.491
MAT-POS-590ac91e-11
0.491
ALE-HEI-f28a35b5-13
0.491
MAK-UNK-6ca90168-28
0.490
MAT-POS-590ac91e-8
0.483
MAT-POS-590ac91e-7
0.482
TRY-UNI-714a760b-11
0.482
ALE-HEI-f28a35b5-7
0.482
ALE-HEI-f28a35b5-1
0.481
MAT-POS-590ac91e-16
0.481
MAT-POS-5d20d11c-1
0.481
TRY-UNI-714a760b-4
0.481
NAU-LAT-3f5f3993-2
0.475
DAR-DIA-6a508060-12
0.474
ABI-SAT-4d06482b-1
0.474
MAT-POS-590ac91e-22
0.474
MAT-POS-590ac91e-12
0.474
SCO-VAN-260d9628-1
0.473
JAN-GHE-83b26c96-11
0.473
ALE-HEI-f28a35b5-17
0.473
TRY-UNI-714a760b-5
0.473
MAT-POS-590ac91e-14
0.467
MAT-POS-590ac91e-10
0.466
MAT-POS-590ac91e-4
0.466
ALE-HEI-f28a35b5-10
0.466
MAT-POS-590ac91e-6
0.464
EDG-MED-0da5ad92-9
0.459
MAT-POS-590ac91e-3
0.458
TRY-UNI-714a760b-16
0.458
MAT-POS-590ac91e-21
0.458
AHN-SAT-202241f6-1
0.456
TRY-UNI-714a760b-17
0.456
ALE-HEI-f28a35b5-2
0.456
MAT-POS-590ac91e-9
0.456
EDJ-MED-3c65e9ce-4
0.450
BEN-DND-93268d01-13
0.450
BEN-DND-09b88bf4-5
0.448
MIH-UNI-6b9ca91a-1
0.448
BEN-DND-93268d01-11
0.448
GAB-REV-70cc3ca5-21
0.448
BEN-DND-93268d01-9
0.448
ALE-HEI-f28a35b5-3
0.448
IND-SYN-2c708b29-2
0.447
MAK-UNK-372b0df5-3
0.443
BEN-DND-93268d01-10
0.441
EDJ-MED-c9f55a56-1
0.441
BEN-DND-93268d01-3
0.441
MAT-POS-590ac91e-28
0.435
MAT-POS-590ac91e-29
0.435
EDG-MED-0da5ad92-8
0.433
MAT-POS-590ac91e-17
0.433
TRY-UNI-714a760b-12
0.433
JAG-UCB-cedd89ab-8
0.433
EDJ-MED-3c65e9ce-1
0.433
JOH-UNI-abfda500-6
0.433
ANN-UNI-98d2bf15-1
0.433
BEN-DND-93268d01-8
0.433
MAT-POS-590ac91e-15
0.433
TRY-UNI-2eddb1ff-2
0.433
BEN-DND-6de5dfa0-10
0.433
ALE-HEI-f28a35b5-11
0.433
MAT-POS-590ac91e-25
0.429
EDJ-MED-e58735b6-2
0.426
BEN-DND-93268d01-5
0.426
JAN-GHE-83b26c96-13
0.426
TRY-UNI-714a760b-6
0.426
ALP-POS-95b75b4d-2
0.426
GAB-REV-70cc3ca5-20
0.426
BEN-DND-93268d01-14
0.426
MAK-UNK-6ca90168-24
0.426
BEN-DND-09b88bf4-6
0.422
BEN-DND-6de5dfa0-7
0.422
EDG-MED-0da5ad92-19
0.419
BEN-DND-93268d01-4
0.419
BEN-DND-22e6b372-4
0.419
JAN-GHE-83b26c96-12
0.419
EDG-MED-0da5ad92-3
0.419
MAT-POS-590ac91e-27
0.419