Molecule Details
| Molecular Properties | |
| SMILES: | CC(=O)Nc1cnccc1C |
| MW: | 150.181 |
| Fraction sp3: | 0.25 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 1 |
| TPSA: | 41.99 |
| cLogP: | 1.34842 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✔️ |
| Source | |
| Enamine BB: | EN300-303896 |
| Enamine SCR: | Z1129283193 |
| Enamine Extended REAL: | s_22____3391102____58844 |
| Mcule: | MCULE-9505394671 |
| Mcule Ultimate: | WRPYDRDMRXJIJA-UHFFFAOYSA-N |
| MolPort: | MolPort-003-985-997 |
| Order Status | |
| Shipped: | 2021-04-16 |
AAR-POS-d2a4d1df-1
MAK-UNK-6435e6c2-8
1.000
MAK-UNK-6ca90168-27
0.634
MAK-UNK-6ca90168-26
0.619
MAT-POS-590ac91e-1
0.614
ERI-UCB-5b47150d-1
0.614
MAT-POS-590ac91e-2
0.614
MAT-POS-590ac91e-13
0.609
ERI-UCB-5b47150d-4
0.587
ASH-SAT-43770c7d-9
0.578
MAT-POS-590ac91e-16
0.562
MAT-POS-5d20d11c-1
0.562
GAB-REV-70cc3ca5-21
0.549
ALE-HEI-f28a35b5-13
0.542
ALE-HEI-f28a35b5-12
0.542
MAT-POS-590ac91e-11
0.542
MAT-POS-590ac91e-6
0.540
TRY-UNI-714a760b-4
0.531
ALE-HEI-f28a35b5-1
0.531
MAT-POS-590ac91e-7
0.529
ERI-UCB-5b47150d-6
0.529
JAN-GHE-83b26c96-11
0.520
TRY-UNI-714a760b-5
0.520
SCO-VAN-260d9628-1
0.520
ALE-HEI-f28a35b5-17
0.520
PET-SGC-6e7c5dc0-1
0.510
MAT-POS-590ac91e-18
0.510
MAT-POS-590ac91e-19
0.510
MAT-POS-590ac91e-4
0.509
ALE-HEI-f28a35b5-2
0.500
MAT-POS-590ac91e-9
0.500
IND-SYN-2c708b29-2
0.500
EDJ-MED-3c65e9ce-1
0.500
BEN-DND-6de5dfa0-10
0.500
MAT-POS-590ac91e-5
0.500
TRY-UNI-714a760b-11
0.500
BEN-DND-93268d01-8
0.500
AHN-SAT-202241f6-1
0.500
TRY-UNI-714a760b-17
0.500
ALE-HEI-f28a35b5-7
0.500
NAU-LAT-3f5f3993-2
0.491
MAT-POS-590ac91e-12
0.491
BEN-DND-09b88bf4-5
0.491
ABI-SAT-4d06482b-1
0.491
BEN-DND-93268d01-9
0.491
BEN-DND-93268d01-11
0.491
DAR-DIA-6a508060-12
0.491
ALE-HEI-f28a35b5-3
0.491
EDG-MED-0da5ad92-4
0.491
MAT-POS-590ac91e-22
0.491
MAT-POS-590ac91e-23
0.491
MIH-UNI-6b9ca91a-1
0.491
ALE-HEI-f28a35b5-6
0.491
TRY-UNI-714a760b-10
0.491
BEN-DND-93268d01-10
0.481
MAT-POS-590ac91e-10
0.481
MAT-POS-590ac91e-26
0.481
EDJ-MED-c9f55a56-1
0.481
ALE-HEI-f28a35b5-10
0.481
BEN-DND-93268d01-3
0.481
MAT-POS-590ac91e-24
0.481
BEN-DND-6de5dfa0-14
0.475
MAT-POS-590ac91e-28
0.474
MAT-POS-590ac91e-29
0.474
JOH-UNI-abfda500-6
0.473
MAT-POS-590ac91e-3
0.473
ANN-UNI-98d2bf15-1
0.473
MAT-POS-590ac91e-15
0.473
MAT-POS-590ac91e-17
0.473
TRY-UNI-714a760b-12
0.473
TRY-UNI-2eddb1ff-2
0.473
MAT-POS-590ac91e-8
0.473
JAG-UCB-cedd89ab-8
0.473
MAT-POS-590ac91e-21
0.473
ALE-HEI-f28a35b5-11
0.473
EDG-MED-0da5ad92-8
0.473
TRY-UNI-714a760b-16
0.473
EDJ-MED-e58735b6-2
0.464
EDJ-MED-3c65e9ce-4
0.464
BEN-DND-93268d01-5
0.464
JAN-GHE-83b26c96-13
0.464
TRY-UNI-714a760b-6
0.464
BEN-DND-93268d01-14
0.464
ALP-POS-95b75b4d-2
0.464
MAK-UNK-6ca90168-24
0.464
BEN-DND-93268d01-13
0.464
GAB-REV-70cc3ca5-20
0.464
MAT-POS-590ac91e-14
0.456
EDG-MED-0da5ad92-3
0.456
JAN-GHE-83b26c96-12
0.456
TRY-UNI-2eddb1ff-3
0.456
EDG-MED-0da5ad92-19
0.456
BEN-DND-93268d01-4
0.456
ALP-POS-95b75b4d-1
0.456
MAT-POS-590ac91e-27
0.456
BEN-DND-22e6b372-4
0.456
MAK-UNK-372b0df5-3
0.456
BEN-DND-93268d01-2
0.448
EDG-MED-0da5ad92-9
0.448
BEN-DND-09b88bf4-3
0.448
CHR-SOS-363cfb78-2
0.448