Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)C1C2CCOCC21 |
| MW: | 232.12 |
| Fraction sp3: | 0.54 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 2 |
| TPSA: | 51.22 |
| cLogP: | 1.61 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z3080739930 |
| MolPort: | MolPort-047-559-767 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-24 |
AAR-POS-d2a4d1df-1
MAT-POS-590ac91e-19
0.650
MAT-POS-590ac91e-18
0.478
AAR-POS-d2a4d1df-3
0.474
MAK-UNK-6435e6c2-8
0.474
ERI-UCB-5b47150d-6
0.471
MAT-POS-590ac91e-22
0.464
DAR-DIA-6a508060-12
0.464
MAT-POS-590ac91e-12
0.464
MAT-POS-590ac91e-26
0.457
MAT-POS-590ac91e-21
0.451
DAR-DIA-6a508060-6
0.439
MAT-POS-b3e365b9-4
0.439
MAT-POS-b3e365b9-3
0.439
BRU-CON-c4e3408a-1
0.439
JAN-GHE-f4ca5a00-13
0.439
MAT-POS-590ac91e-4
0.437
MAK-UNK-6ca90168-27
0.435
MAT-POS-590ac91e-29
0.432
MAT-POS-590ac91e-8
0.431
MAT-POS-590ac91e-3
0.431
MAT-POS-590ac91e-7
0.429
ERI-UCB-5b47150d-4
0.418
BEN-DND-93268d01-10
0.417
MAT-POS-590ac91e-10
0.417
MAT-POS-590ac91e-5
0.408
TRY-UNI-714a760b-11
0.408
ALE-HEI-f28a35b5-7
0.408
MAK-UNK-6ca90168-26
0.406
BEN-DND-6de5dfa0-12
0.405
EDG-MED-0da5ad92-4
0.403
ALE-HEI-f28a35b5-6
0.403
TRY-UNI-714a760b-10
0.403
MAT-POS-590ac91e-27
0.400
TRY-UNI-714a760b-16
0.392
ALE-HEI-f28a35b5-13
0.391
ALE-HEI-f28a35b5-12
0.391
ADA-UCB-6c2cb422-2
0.390
MAK-UNK-372b0df5-1
0.390
MAT-POS-590ac91e-25
0.390
ASH-SAT-43770c7d-9
0.388
MAT-POS-590ac91e-2
0.388
MAT-POS-590ac91e-1
0.388
ERI-UCB-5b47150d-1
0.388
NAU-LAT-3f5f3993-2
0.387
EDJ-MED-3c65e9ce-4
0.387
MAT-POS-590ac91e-23
0.384
MAT-POS-590ac91e-14
0.382
SCO-VAN-260d9628-1
0.380
ALE-HEI-f28a35b5-17
0.380
SAD-SAT-7d5528d9-7
0.379
SAD-SAT-7d5528d9-26
0.379
MAT-POS-590ac91e-24
0.378
EDG-MED-0da5ad92-9
0.377
SAD-SAT-7d5528d9-1
0.376
MAT-POS-590ac91e-6
0.375
MAT-POS-590ac91e-15
0.373
MAT-POS-590ac91e-13
0.371
MAT-POS-590ac91e-11
0.371
ALP-POS-95b75b4d-4
0.370
AHN-SAT-202241f6-1
0.370
TRY-UNI-714a760b-17
0.370
MAT-POS-590ac91e-9
0.370
SIM-DEM-4fb93ec7-1
0.369
MAT-POS-5d20d11c-1
0.366
MAT-POS-590ac91e-16
0.366
TRY-UNI-714a760b-4
0.366
ALE-HEI-f28a35b5-1
0.366
DAR-DIA-0cde14eb-70
0.366
BEN-DND-93268d01-9
0.365
BEN-DND-93268d01-11
0.365
BEN-DND-09b88bf4-5
0.365
WIL-MOD-03b86a88-2
0.365
JAN-GHE-83b26c96-12
0.364
WIL-MOD-03b86a88-4
0.364
BEN-DND-6de5dfa0-14
0.362
TRY-UNI-714a760b-5
0.361
JAN-GHE-83b26c96-11
0.361
BAR-COM-0f94fc3d-28
0.360
EDJ-MED-c9f55a56-1
0.360
BEN-DND-6de5dfa0-15
0.358
PET-SGC-6e7c5dc0-1
0.356
MAT-POS-590ac91e-17
0.355
EDJ-MED-3c65e9ce-1
0.355
BEN-DND-6de5dfa0-10
0.355
BEN-DND-93268d01-8
0.355
BEN-DND-6de5dfa0-4
0.354
BEN-DND-09b88bf4-4
0.354
DAR-DIA-0cde14eb-8
0.354
DAR-DIA-0cde14eb-13
0.353
ALE-HEI-f28a35b5-2
0.351
BEN-DND-93268d01-13
0.351
JAN-GHE-83b26c96-9
0.350
CHR-SOS-1f323c23-10
0.350
IND-SYN-2c708b29-2
0.349
SAM-UNK-2684b532-8
0.349
ASH-UNK-40b46b30-8
0.348
ABI-SAT-4d06482b-1
0.347
ALE-HEI-f28a35b5-3
0.347
MIH-UNI-6b9ca91a-1
0.347
GAB-REV-70cc3ca5-21
0.347