Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)C1CCC12CCC2 |
| MW: | 230.14 |
| Fraction sp3: | 0.57 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 2 |
| TPSA: | 41.99 |
| cLogP: | 2.91 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z4099035734 |
| Enamine Extended REAL: | s_22____3391102____16915728 |
| MolPort: | MolPort-047-563-602 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-16 |
AAR-POS-d2a4d1df-1
MAT-POS-590ac91e-19
0.541
MAT-POS-590ac91e-18
0.541
MAT-POS-590ac91e-21
0.531
ERI-UCB-5b47150d-6
0.508
MAT-POS-590ac91e-26
0.492
AAR-POS-d2a4d1df-3
0.491
MAK-UNK-6435e6c2-8
0.491
MAT-POS-590ac91e-15
0.485
MAT-POS-590ac91e-8
0.485
MAT-POS-590ac91e-12
0.477
EDG-MED-0da5ad92-4
0.477
DAR-DIA-6a508060-12
0.477
ALE-HEI-f28a35b5-6
0.477
TRY-UNI-714a760b-10
0.477
MAK-UNK-6ca90168-27
0.474
MAT-POS-590ac91e-24
0.470
MAT-POS-590ac91e-28
0.464
MAT-POS-590ac91e-5
0.462
TRY-UNI-714a760b-11
0.462
ALE-HEI-f28a35b5-7
0.462
MAT-POS-590ac91e-25
0.457
ERI-UCB-5b47150d-4
0.452
MAT-POS-590ac91e-10
0.448
MAT-POS-590ac91e-6
0.446
ALE-HEI-f28a35b5-12
0.444
EDG-MED-0da5ad92-9
0.443
MAT-POS-590ac91e-29
0.443
MAT-POS-590ac91e-1
0.443
ERI-UCB-5b47150d-1
0.443
MAT-POS-590ac91e-2
0.443
TRY-UNI-714a760b-16
0.441
MAK-UNK-6ca90168-26
0.441
MAT-POS-590ac91e-7
0.439
MAT-POS-590ac91e-9
0.439
ADA-UCB-6c2cb422-2
0.434
MAT-POS-590ac91e-23
0.433
MAT-POS-590ac91e-4
0.426
ALE-HEI-f28a35b5-13
0.422
MAT-POS-590ac91e-3
0.420
SAD-SAT-7d5528d9-26
0.420
ASH-SAT-43770c7d-9
0.419
CHR-SOS-1f323c23-7
0.419
MAT-POS-5d20d11c-1
0.415
MAT-POS-590ac91e-16
0.415
NAU-LAT-3f5f3993-2
0.414
EDJ-MED-3c65e9ce-4
0.414
BEN-DND-93268d01-11
0.412
SIM-DEM-4fb93ec7-1
0.410
SCO-VAN-260d9628-1
0.409
ALE-HEI-f28a35b5-17
0.409
MAT-POS-590ac91e-14
0.408
MAT-POS-590ac91e-27
0.408
ASH-UNK-40b46b30-11
0.408
DAR-DIA-0cde14eb-70
0.408
CHR-SOS-6c45c019-9
0.403
DAR-DIA-0cde14eb-66
0.400
MAT-POS-590ac91e-13
0.400
MAT-POS-590ac91e-11
0.400
DAR-DIA-23e5a6a0-22
0.398
MAK-UNK-372b0df5-1
0.397
CHR-SOS-6c45c019-8
0.397
DAR-DIA-0cde14eb-71
0.397
AHN-SAT-202241f6-1
0.397
TRY-UNI-714a760b-17
0.397
JAN-GHE-f4ca5a00-13
0.395
DAR-DIA-6a508060-6
0.395
MAT-POS-b3e365b9-4
0.395
MAT-POS-b3e365b9-3
0.395
BRU-CON-c4e3408a-1
0.395
WAR-XCH-e55cba98-9
0.395
DAR-DIA-0cde14eb-64
0.395
CHR-SOS-1f323c23-4
0.395
TRY-UNI-714a760b-4
0.394
ALE-HEI-f28a35b5-1
0.394
CHR-SOS-1f323c23-10
0.392
BEN-DND-09b88bf4-5
0.391
BEN-DND-93268d01-9
0.391
ALE-HEI-f28a35b5-3
0.391
DAR-DIA-0cde14eb-62
0.390
MAK-UNK-372b0df5-3
0.389
BEN-DND-22e6b372-4
0.389
TRY-UNI-714a760b-5
0.388
JAN-GHE-83b26c96-11
0.388
CHR-SOS-6c45c019-7
0.388
BEN-DND-6de5dfa0-14
0.387
DAR-DIA-0cde14eb-68
0.387
DAR-DIA-0cde14eb-65
0.387
EDG-MED-0da5ad92-11
0.387
JAN-GHE-83b26c96-20
0.387
BEN-DND-93268d01-10
0.386
SAD-SAT-7d5528d9-7
0.386
DAR-DIA-0cde14eb-72
0.385
DAR-DIA-0cde14eb-73
0.385
CHR-SOS-1f323c23-1
0.385
CHR-SOS-1f323c23-9
0.383
CHR-SOS-6c45c019-15
0.383
PET-SGC-6e7c5dc0-1
0.382
BEN-DND-6de5dfa0-15
0.382
MAR-TRE-67513f76-79
0.382
DAR-DIA-0cde14eb-5
0.382