Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CC12CCCC1C2 |
| MW: | 230.14 |
| Fraction sp3: | 0.57 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 41.99 |
| cLogP: | 2.91 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z4099035768 |
| Enamine Extended REAL: | s_22____3391102____16795270 |
| MolPort: | MolPort-047-563-601 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-16 |
AAR-POS-d2a4d1df-1
MAT-POS-590ac91e-6
0.562
MAT-POS-590ac91e-9
0.554
MAT-POS-590ac91e-15
0.552
MAT-POS-590ac91e-24
0.515
TRY-UNI-714a760b-10
0.500
ALE-HEI-f28a35b5-6
0.500
EDG-MED-0da5ad92-4
0.500
MAK-UNK-6ca90168-26
0.492
MAT-POS-590ac91e-7
0.485
MAT-POS-590ac91e-10
0.471
ALE-HEI-f28a35b5-12
0.470
ASH-SAT-43770c7d-9
0.469
EDG-MED-0da5ad92-9
0.466
MAT-POS-590ac91e-21
0.465
EDJ-MED-3c65e9ce-4
0.458
MAT-POS-590ac91e-22
0.457
BEN-DND-93268d01-11
0.457
MAT-POS-590ac91e-23
0.457
MAT-POS-590ac91e-11
0.448
MAT-POS-590ac91e-29
0.446
MAT-POS-590ac91e-3
0.444
AAR-POS-d2a4d1df-3
0.441
MAK-UNK-6435e6c2-8
0.441
CHR-SOS-e960e883-6
0.440
SIM-DEM-2d7ee9fd-1
0.439
BEN-DND-09b88bf4-5
0.437
BEN-DND-93268d01-9
0.437
GAB-REV-70cc3ca5-21
0.437
MIH-UNI-6b9ca91a-1
0.437
TRY-UNI-714a760b-5
0.435
JAN-GHE-83b26c96-11
0.435
BEN-DND-22e6b372-4
0.432
MAT-POS-590ac91e-4
0.431
BEN-DND-93268d01-10
0.431
EDJ-MED-c9f55a56-1
0.431
DAR-DIA-0cde14eb-62
0.430
CHR-SOS-e960e883-5
0.430
MAK-UNK-6ca90168-27
0.429
BEN-DND-6de5dfa0-14
0.429
MAT-POS-590ac91e-19
0.429
PET-SGC-6e7c5dc0-1
0.429
DOU-UNK-b5326f8f-18
0.425
MAT-POS-590ac91e-17
0.425
EDG-MED-0da5ad92-8
0.425
TRY-UNI-2eddb1ff-2
0.425
BEN-DND-93268d01-8
0.425
EDJ-MED-3c65e9ce-1
0.425
BEN-DND-6de5dfa0-15
0.423
TRY-UNI-714a760b-11
0.423
ALE-HEI-f28a35b5-7
0.423
MAT-POS-590ac91e-5
0.423
ERI-UCB-5b47150d-6
0.423
MAT-POS-e501d84c-1
0.422
BEN-DND-22e6b372-3
0.421
CHR-SOS-e960e883-4
0.420
DAR-DIA-23e5a6a0-23
0.420
WAR-XCH-e55cba98-11
0.420
BEN-DND-93268d01-5
0.419
DAR-DIA-0cde14eb-64
0.418
ALP-POS-95b75b4d-4
0.418
DAR-DIA-0cde14eb-1
0.418
DAR-DIA-0cde14eb-61
0.418
ALE-HEI-f28a35b5-3
0.417
DAR-DIA-0cde14eb-74
0.415
DAR-DIA-23e5a6a0-29
0.414
MAK-UNK-372b0df5-3
0.413
BEN-DND-93268d01-4
0.413
DAR-DIA-0cde14eb-2
0.412
DAR-DIA-0cde14eb-63
0.412
MAT-POS-590ac91e-26
0.411
ALE-HEI-f28a35b5-10
0.411
MAT-POS-590ac91e-18
0.408
BEN-DND-6de5dfa0-3
0.408
NAU-LAT-3f5f3993-5
0.408
BEN-DND-09b88bf4-3
0.408
BEN-DND-6de5dfa0-5
0.408
DAR-DIA-0cde14eb-3
0.407
DAR-DIA-0cde14eb-4
0.407
TRY-UNI-714a760b-16
0.405
ANN-UNI-98d2bf15-1
0.405
JOH-UNI-abfda500-6
0.405
DAR-DIA-0cde14eb-66
0.405
BEN-DND-6de5dfa0-6
0.405
GAB-REV-70cc3ca5-3
0.405
DAR-DIA-0cde14eb-78
0.405
BEN-DND-03406596-7
0.403
NIR-THE-b7e8e081-1
0.403
BEN-DND-09b88bf4-2
0.403
BEN-DND-6de5dfa0-1
0.403
BEN-DND-6de5dfa0-4
0.403
BEN-DND-09b88bf4-4
0.403
BEN-DND-93268d01-7
0.403
MIH-UNI-6b9ca91a-3
0.402
MAT-POS-044491d2-1
0.402
DAR-DIA-23e5a6a0-21
0.402
GAB-REV-70cc3ca5-20
0.400
TRY-UNI-714a760b-4
0.400
EDJ-MED-e58735b6-2
0.400
ALE-HEI-f28a35b5-1
0.400
TRY-UNI-714a760b-6
0.400