Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)C12CCC(CO1)C2 |
| MW: | 232.12 |
| Fraction sp3: | 0.54 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 2 |
| TPSA: | 51.22 |
| cLogP: | 1.9 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z3471767411 |
| MolPort: | MolPort-047-560-766 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-16 |
AAR-POS-d2a4d1df-1
MAT-POS-590ac91e-4
0.729
MAT-POS-590ac91e-3
0.515
AAR-POS-d2a4d1df-3
0.474
MAK-UNK-6435e6c2-8
0.474
MAT-POS-590ac91e-27
0.458
MAT-POS-590ac91e-21
0.451
MAR-TRE-67513f76-79
0.447
MAT-POS-590ac91e-25
0.446
MAT-POS-590ac91e-22
0.443
MAT-POS-590ac91e-24
0.437
MAK-UNK-6ca90168-27
0.435
MAT-POS-590ac91e-6
0.435
MAT-POS-590ac91e-28
0.432
EDG-MED-0da5ad92-4
0.423
ALE-HEI-f28a35b5-6
0.423
TRY-UNI-714a760b-10
0.423
MAT-POS-590ac91e-12
0.423
SCO-VAN-260d9628-1
0.420
ALE-HEI-f28a35b5-17
0.420
ERI-UCB-5b47150d-4
0.418
MAT-POS-590ac91e-26
0.417
EDG-MED-0da5ad92-11
0.416
JAN-GHE-83b26c96-20
0.416
MAT-POS-590ac91e-19
0.414
MAT-POS-590ac91e-18
0.414
ASH-UNK-40b46b30-8
0.412
MAT-POS-590ac91e-5
0.408
TRY-UNI-714a760b-11
0.408
ALE-HEI-f28a35b5-7
0.408
MAT-POS-590ac91e-7
0.408
MAT-POS-590ac91e-9
0.408
MAK-UNK-6ca90168-26
0.406
NAU-LAT-3f5f3993-2
0.405
EDJ-MED-3c65e9ce-4
0.405
ASH-UNK-40b46b30-11
0.400
MAT-POS-590ac91e-10
0.397
MAT-POS-590ac91e-15
0.392
BEN-DND-6de5dfa0-10
0.392
TRY-UNI-714a760b-16
0.392
MAT-POS-590ac91e-13
0.391
ALE-HEI-f28a35b5-12
0.391
SAD-SAT-7d5528d9-4
0.391
ERI-UCB-5b47150d-6
0.389
ASH-SAT-43770c7d-9
0.388
MAT-POS-590ac91e-2
0.388
MAT-POS-590ac91e-1
0.388
ERI-UCB-5b47150d-1
0.388
BEN-DND-93268d01-9
0.384
DAR-DIA-6a508060-12
0.384
MAT-POS-590ac91e-23
0.384
BEN-DND-09b88bf4-5
0.384
BAR-COM-0f94fc3d-25
0.383
MAK-UNK-372b0df5-3
0.382
MAT-POS-590ac91e-14
0.382
JAN-GHE-83b26c96-11
0.380
BEN-DND-6de5dfa0-14
0.380
SAD-SAT-7d5528d9-26
0.379
BEN-DND-93268d01-10
0.378
EDG-MED-0da5ad92-9
0.377
PET-SGC-6e7c5dc0-1
0.375
BEN-DND-6de5dfa0-15
0.375
WAR-XCH-e55cba98-11
0.373
CHR-SOS-6c45c019-10
0.373
MAT-POS-590ac91e-8
0.373
EDJ-MED-3c65e9ce-1
0.373
BEN-DND-93268d01-8
0.373
ALE-HEI-f28a35b5-13
0.371
MAT-POS-590ac91e-11
0.371
DAR-DIA-23e5a6a0-29
0.371
CHR-SOS-6c45c019-12
0.370
DAR-DIA-0cde14eb-6
0.370
MAK-UNK-7264f48c-5
0.369
BEN-DND-93268d01-5
0.368
CHR-SOS-1f323c23-10
0.367
MAT-POS-044491d2-2
0.367
TRY-UNI-714a760b-4
0.366
MAT-POS-5d20d11c-1
0.366
MAT-POS-590ac91e-16
0.366
ALE-HEI-f28a35b5-1
0.366
DAR-DIA-0cde14eb-70
0.366
CHR-SOS-6c45c019-11
0.366
ABI-SAT-4d06482b-1
0.365
BEN-DND-93268d01-11
0.365
MIH-UNI-6b9ca91a-1
0.365
GAB-REV-70cc3ca5-21
0.365
CHR-SOS-6c45c019-7
0.365
WIL-MOD-03b86a88-2
0.365
DAR-DIA-23e5a6a0-23
0.363
DAR-DIA-0cde14eb-65
0.362
DAR-DIA-0cde14eb-68
0.362
DAR-DIA-0cde14eb-72
0.361
DAR-DIA-0cde14eb-9
0.361
DAR-DIA-0cde14eb-73
0.361
DAR-DIA-0cde14eb-3
0.361
CHR-SOS-6c45c019-9
0.361
TRY-UNI-714a760b-5
0.361
MAT-POS-e501d84c-1
0.360
ALE-HEI-f28a35b5-10
0.360
DAR-DIA-0cde14eb-66
0.358
DAR-DIA-0cde14eb-5
0.358