Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)C1(C#N)CCOC1 |
| MW: | 231.1 |
| Fraction sp3: | 0.42 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 2 |
| TPSA: | 75.01 |
| cLogP: | 1.26 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z2869765276 |
| Enamine Extended REAL: | s_22____3391102____12497834 |
| MolPort: | MolPort-047-558-488 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-24 |
AAR-POS-d2a4d1df-1
MAT-POS-590ac91e-3
0.478
MAT-POS-590ac91e-15
0.478
MAT-POS-590ac91e-26
0.464
MAT-POS-590ac91e-4
0.464
ASH-SAT-43770c7d-9
0.460
MAT-POS-590ac91e-29
0.458
MAK-UNK-6435e6c2-8
0.456
AAR-POS-d2a4d1df-3
0.456
SAD-SAT-7d5528d9-4
0.446
MAT-POS-590ac91e-14
0.444
EDG-MED-0da5ad92-11
0.440
JAN-GHE-83b26c96-20
0.440
DAR-DIA-0cde14eb-9
0.436
MAT-POS-590ac91e-9
0.435
ERI-UCB-5b47150d-4
0.424
DAR-DIA-0cde14eb-69
0.423
BEN-DND-93268d01-10
0.423
MAT-POS-590ac91e-6
0.420
MAK-UNK-6ca90168-27
0.419
MAR-TRE-67513f76-79
0.416
MAT-POS-590ac91e-5
0.414
TRY-UNI-714a760b-24
0.413
MAK-UNK-6ca90168-26
0.413
DAR-DIA-0cde14eb-8
0.410
MAT-POS-590ac91e-22
0.408
DAR-DIA-0cde14eb-74
0.407
SCO-VAN-260d9628-1
0.406
ALE-HEI-f28a35b5-17
0.406
ASH-UNK-40b46b30-11
0.405
BAR-COM-0f94fc3d-25
0.405
MAT-POS-590ac91e-24
0.403
DAR-DIA-0cde14eb-14
0.402
MAT-POS-590ac91e-28
0.400
DAR-DIA-0cde14eb-75
0.398
DAR-DIA-0cde14eb-5
0.397
MAT-POS-590ac91e-21
0.397
ALE-HEI-f28a35b5-13
0.397
ALE-HEI-f28a35b5-12
0.397
MAT-POS-590ac91e-7
0.394
ERI-UCB-5b47150d-6
0.394
MAT-POS-590ac91e-2
0.394
MAT-POS-590ac91e-1
0.394
ERI-UCB-5b47150d-1
0.394
DAR-DIA-0cde14eb-15
0.393
DAR-DIA-0cde14eb-6
0.392
DAR-DIA-0cde14eb-7
0.392
CHR-SOS-6c45c019-12
0.392
MAT-POS-590ac91e-16
0.391
MAT-POS-5d20d11c-1
0.391
BEN-DND-93268d01-11
0.389
MAT-POS-590ac91e-23
0.389
EDG-MED-0da5ad92-4
0.389
ALE-HEI-f28a35b5-6
0.389
TRY-UNI-714a760b-10
0.389
MAT-POS-590ac91e-12
0.389
CHR-SOS-6c45c019-11
0.388
BEN-DND-93268d01-4
0.387
JAN-GHE-83b26c96-11
0.386
TRY-UNI-714a760b-5
0.386
DAR-DIA-0cde14eb-65
0.385
DAR-DIA-0cde14eb-68
0.385
CHR-SOS-6c45c019-9
0.383
CHR-SOS-363cfb78-2
0.382
MAT-POS-590ac91e-18
0.380
MAT-POS-590ac91e-19
0.380
JAG-UCB-cedd89ab-8
0.378
TRY-UNI-714a760b-12
0.378
BEN-DND-6de5dfa0-10
0.378
TRY-UNI-714a760b-16
0.378
CHR-SOS-6c45c019-8
0.378
CHR-SOS-6c45c019-10
0.378
MAT-POS-590ac91e-13
0.377
MAT-POS-590ac91e-11
0.377
MAT-POS-590ac91e-25
0.377
DAR-DIA-0cde14eb-64
0.375
WAR-XCH-e55cba98-9
0.375
ALE-HEI-f28a35b5-7
0.375
TRY-UNI-714a760b-11
0.375
CHR-SOS-6c45c019-6
0.373
MAK-UNK-7264f48c-5
0.373
CHR-SOS-6c45c019-16
0.373
MAK-UNK-6ca90168-24
0.373
BEN-DND-93268d01-5
0.373
EDJ-MED-3c65e9ce-4
0.373
GAB-REV-70cc3ca5-20
0.373
TRY-UNI-2eddb1ff-1
0.372
CHR-SOS-1f323c23-10
0.372
TRY-UNI-714a760b-4
0.371
ALE-HEI-f28a35b5-1
0.371
TRY-UNI-1fd04853-2
0.370
BEN-DND-93268d01-9
0.370
GAB-REV-70cc3ca5-21
0.370
DAR-DIA-6a508060-12
0.370
BEN-DND-09b88bf4-5
0.370
CHR-SOS-6c45c019-5
0.369
CHR-SOS-6c45c019-7
0.369
WIL-MOD-03b86a88-2
0.369
EDG-MED-0da5ad92-3
0.368
ASH-UNK-40b46b30-8
0.368
TRY-UNI-714a760b-20
0.367