Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CC1CC2(CC2)C1 |
| 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: | Z3471768079 |
| Enamine Extended REAL: | s_22____3391102____15352730 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-30 |
AAR-POS-d2a4d1df-1
ALE-HEI-f28a35b5-6
0.617
TRY-UNI-714a760b-10
0.617
MAT-POS-590ac91e-23
0.617
EDG-MED-0da5ad92-4
0.617
EDG-MED-0da5ad92-9
0.569
MAK-UNK-6ca90168-26
0.536
MAT-POS-590ac91e-6
0.532
MAT-POS-590ac91e-9
0.524
MAT-POS-590ac91e-15
0.523
MAT-POS-590ac91e-25
0.515
ASH-SAT-43770c7d-9
0.508
ALE-HEI-f28a35b5-12
0.508
MAT-POS-590ac91e-10
0.508
MAT-POS-590ac91e-21
0.500
MAT-POS-590ac91e-7
0.500
ALE-HEI-f28a35b5-3
0.492
TRY-UNI-714a760b-5
0.492
JAN-GHE-83b26c96-11
0.492
MAK-UNK-6ca90168-27
0.491
MAT-POS-590ac91e-11
0.484
AAR-POS-d2a4d1df-3
0.481
MAK-UNK-6435e6c2-8
0.481
GAB-REV-70cc3ca5-23
0.473
EDJ-MED-3c65e9ce-4
0.471
MIH-UNI-6b9ca91a-1
0.470
BEN-DND-93268d01-9
0.470
MAT-POS-590ac91e-22
0.470
BEN-DND-93268d01-11
0.470
BEN-DND-09b88bf4-5
0.470
DAR-DIA-0cde14eb-64
0.466
DAR-DIA-0cde14eb-61
0.466
DAR-DIA-0cde14eb-1
0.466
BEN-DND-22e6b372-4
0.464
BEN-DND-93268d01-10
0.463
EDJ-MED-c9f55a56-1
0.463
PET-SGC-6e7c5dc0-1
0.462
PET-SGC-a3e47117-1
0.462
DAR-DIA-0cde14eb-2
0.459
DAR-DIA-0cde14eb-62
0.459
DAR-DIA-0cde14eb-63
0.459
DAR-DIA-23e5a6a0-24
0.458
TRY-UNI-2eddb1ff-2
0.456
MAT-POS-590ac91e-17
0.456
EDJ-MED-3c65e9ce-1
0.456
EDG-MED-0da5ad92-8
0.456
BEN-DND-93268d01-8
0.456
JOH-UNI-abfda500-6
0.456
ANN-UNI-98d2bf15-1
0.456
MAT-POS-590ac91e-5
0.455
DAR-DIA-0cde14eb-4
0.453
DAR-DIA-0cde14eb-3
0.453
DAR-DIA-23e5a6a0-27
0.452
DAR-DIA-23e5a6a0-30
0.451
BEN-DND-93268d01-7
0.451
BEN-DND-22e6b372-3
0.451
EDJ-MED-e58735b6-1
0.451
GAB-REV-70cc3ca5-20
0.449
TRY-UNI-714a760b-6
0.449
ALP-POS-95b75b4d-2
0.449
JAN-GHE-83b26c96-13
0.449
EDJ-MED-e58735b6-2
0.449
BEN-DND-93268d01-5
0.449
MAT-POS-e501d84c-1
0.449
GAB-REV-70cc3ca5-21
0.448
ALP-POS-95b75b4d-4
0.446
DAR-DIA-23e5a6a0-23
0.446
ALP-POS-95b75b4d-3
0.444
JAN-GHE-83b26c96-14
0.444
DAR-DIA-0cde14eb-76
0.444
BEN-DND-93268d01-4
0.443
ALP-POS-95b75b4d-1
0.443
JAN-GHE-83b26c96-12
0.443
MAK-UNK-372b0df5-3
0.443
DAR-DIA-0cde14eb-74
0.442
MAT-POS-590ac91e-4
0.441
ALE-HEI-f28a35b5-10
0.441
MAT-POS-590ac91e-26
0.441
DAR-DIA-23e5a6a0-29
0.439
BEN-DND-6de5dfa0-14
0.438
BEN-DND-22e6b372-2
0.438
BEN-DND-09b88bf4-3
0.437
MAT-POS-590ac91e-29
0.437
BEN-DND-6de5dfa0-3
0.437
NAU-LAT-3f5f3993-5
0.437
BEN-DND-6de5dfa0-5
0.437
GAB-REV-70cc3ca5-13
0.437
DAR-DIA-0cde14eb-14
0.436
MAT-POS-590ac91e-3
0.435
MAT-POS-044491d2-2
0.434
ERI-UCB-5b47150d-6
0.433
DAR-DIA-0cde14eb-78
0.432
BEN-DND-6de5dfa0-15
0.432
DAR-DIA-23e5a6a0-28
0.432
BEN-DND-6de5dfa0-1
0.431
BEN-DND-09b88bf4-2
0.431
BEN-DND-03406596-7
0.431
BEN-DND-6de5dfa0-4
0.431
BEN-DND-09b88bf4-4
0.431
NIR-THE-b7e8e081-1
0.431
SIM-DEM-2d7ee9fd-1
0.430