Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CN1CCOCC1 |
| MW: | 235.13 |
| Fraction sp3: | 0.5 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 54.46 |
| cLogP: | 0.66 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z1551794845 |
| Enamine Extended REAL: | s_22____3391102____7941832 |
| Mcule Ultimate: | QOKTVTFRZUAEQT-UHFFFAOYSA-N |
| MolPort: | MolPort-047-550-223 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-07-08 |
AAR-POS-d2a4d1df-1
BEN-DND-93268d01-11
0.702
BEN-DND-93268d01-9
0.702
BEN-DND-09b88bf4-5
0.702
BEN-DND-93268d01-8
0.678
EDJ-MED-3c65e9ce-1
0.678
EDJ-MED-3c65e9ce-4
0.667
BEN-DND-09b88bf4-2
0.661
BEN-DND-6de5dfa0-1
0.661
BEN-DND-03406596-7
0.661
BEN-DND-09b88bf4-3
0.645
NAU-LAT-3f5f3993-5
0.645
BEN-DND-6de5dfa0-3
0.645
NIR-THE-b7e8e081-1
0.635
NIR-THE-b7e8e081-2
0.625
BEN-DND-09b88bf4-6
0.625
BEN-DND-6de5dfa0-16
0.625
BEN-DND-6de5dfa0-7
0.625
BEN-DND-6de5dfa0-14
0.615
BEN-DND-09b88bf4-4
0.609
BEN-DND-6de5dfa0-4
0.609
BEN-DND-6de5dfa0-6
0.606
BEN-DND-6de5dfa0-15
0.606
BEN-DND-09b88bf4-8
0.606
BEN-DND-6de5dfa0-5
0.594
BEN-DND-6de5dfa0-2
0.571
BEN-DND-09b88bf4-1
0.571
SAD-SAT-7d5528d9-1
0.569
ANU-UNK-2781581f-1
0.556
RED-SAT-26a928c9-1
0.556
BEN-DND-22e6b372-4
0.554
BEN-DND-09b88bf4-7
0.547
BEN-DND-22e6b372-3
0.537
MAK-UNK-6ca90168-26
0.536
BEN-DND-6de5dfa0-9
0.535
ALE-HEI-f28a35b5-12
0.533
BEN-DND-22e6b372-1
0.529
BEN-DND-6de5dfa0-8
0.528
BEN-DND-22e6b372-2
0.522
JAN-GHE-83b26c96-11
0.516
ASH-SAT-43770c7d-9
0.508
ALP-POS-95b75b4d-2
0.493
TRY-UNI-714a760b-5
0.492
MAT-POS-590ac91e-6
0.484
MAT-POS-590ac91e-11
0.484
MAK-UNK-6435e6c2-8
0.481
AAR-POS-d2a4d1df-3
0.481
MAT-POS-590ac91e-9
0.477
MAT-POS-590ac91e-7
0.477
ALE-HEI-f28a35b5-6
0.470
TRY-UNI-714a760b-10
0.470
MIH-UNI-6b9ca91a-1
0.470
MAT-POS-590ac91e-23
0.470
EDG-MED-0da5ad92-4
0.470
ALE-HEI-f28a35b5-3
0.470
BEN-DND-6de5dfa0-13
0.468
BEN-DND-93268d01-12
0.468
JAN-GHE-83b26c96-12
0.464
MAT-POS-590ac91e-10
0.463
MAT-POS-590ac91e-24
0.463
PET-SGC-6e7c5dc0-1
0.462
DAR-DIA-0cde14eb-63
0.459
EDG-MED-0da5ad92-8
0.456
TRY-UNI-2eddb1ff-2
0.456
MAT-POS-590ac91e-15
0.456
BAR-COM-0f94fc3d-41
0.453
PET-SGC-6016d8e6-1
0.451
EDJ-MED-e58735b6-2
0.449
GAB-REV-70cc3ca5-20
0.449
JAN-GHE-83b26c96-13
0.449
TRY-UNI-714a760b-6
0.449
BEN-DND-93268d01-5
0.449
GAB-REV-70cc3ca5-21
0.448
BAR-COM-0f94fc3d-18
0.447
ALE-HEI-f28a35b5-17
0.446
SCO-VAN-260d9628-1
0.446
DAR-DIA-0cde14eb-61
0.446
DAR-DIA-0cde14eb-64
0.446
MAK-UNK-372b0df5-3
0.443
ALP-POS-95b75b4d-1
0.443
PET-SGC-276eba5a-1
0.442
ALE-HEI-f28a35b5-10
0.441
EDJ-MED-c9f55a56-1
0.441
MAK-UNK-6ca90168-27
0.441
DAR-DIA-0cde14eb-62
0.440
ALE-HEI-f28a35b5-13
0.438
EDG-MED-0da5ad92-9
0.437
GAB-REV-70cc3ca5-13
0.437
WIL-MOD-03b86a88-2
0.436
ANN-UNI-98d2bf15-1
0.435
JOH-UNI-abfda500-6
0.435
MAT-POS-590ac91e-17
0.435
DAR-DIA-0cde14eb-4
0.434
BAR-COM-0f94fc3d-48
0.434
MAT-POS-590ac91e-5
0.433
EDJ-MED-e58735b6-1
0.431
MAT-POS-590ac91e-25
0.431
BAR-COM-0f94fc3d-28
0.430
BEN-DND-93268d01-13
0.429
BEN-DND-6de5dfa0-19
0.429
DAR-DIA-0cde14eb-1
0.427