Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CCOC1CC1 |
| MW: | 220.12 |
| Fraction sp3: | 0.5 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 51.22 |
| cLogP: | 1.9 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z3296843732 |
| Enamine Extended REAL: | s_22____3391102____14416032 |
| MolPort: | MolPort-047-560-291 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-16 |
AAR-POS-d2a4d1df-1
ALE-HEI-f28a35b5-12
0.586
TRY-UNI-714a760b-5
0.541
MAK-UNK-6ca90168-26
0.536
PET-SGC-6e7c5dc0-1
0.532
MAT-POS-590ac91e-7
0.524
TRY-UNI-714a760b-10
0.516
ALE-HEI-f28a35b5-6
0.516
EDG-MED-0da5ad92-4
0.516
ASH-SAT-43770c7d-9
0.508
MAT-POS-590ac91e-11
0.508
ALE-HEI-f28a35b5-10
0.508
MAT-POS-590ac91e-24
0.508
MAK-UNK-372b0df5-3
0.507
ALP-POS-95b75b4d-4
0.507
MAT-POS-590ac91e-15
0.500
MAT-POS-590ac91e-8
0.500
MAT-POS-590ac91e-9
0.500
MAT-POS-590ac91e-17
0.500
BEN-DND-93268d01-7
0.493
BEN-DND-93268d01-5
0.493
EDJ-MED-3c65e9ce-4
0.493
MAT-POS-590ac91e-23
0.492
JAN-GHE-83b26c96-11
0.492
ALP-POS-f13221e1-4
0.486
BEN-DND-93268d01-4
0.485
MAT-POS-590ac91e-6
0.484
AAR-POS-d2a4d1df-3
0.481
MAK-UNK-6435e6c2-8
0.481
BEN-DND-93268d01-6
0.479
EDG-MED-0da5ad92-9
0.478
TRY-UNI-2eddb1ff-2
0.478
EDG-MED-0da5ad92-8
0.478
GAB-REV-70cc3ca5-3
0.472
MAT-POS-590ac91e-25
0.471
EDJ-MED-e58735b6-1
0.471
JAN-GHE-83b26c96-13
0.471
TRY-UNI-714a760b-6
0.471
EDJ-MED-e58735b6-2
0.471
ALP-POS-95b75b4d-2
0.471
BEN-DND-09b88bf4-5
0.470
ALE-HEI-f28a35b5-3
0.470
MIH-UNI-6b9ca91a-1
0.470
BEN-DND-93268d01-9
0.470
BEN-DND-93268d01-11
0.470
GAB-REV-70cc3ca5-12
0.468
MAK-UNK-6ca90168-27
0.466
BEN-DND-6de5dfa0-7
0.465
BEN-DND-09b88bf4-6
0.465
ALP-POS-95b75b4d-1
0.464
JAN-GHE-83b26c96-12
0.464
BEN-DND-93268d01-10
0.463
EDJ-MED-c9f55a56-1
0.463
MAT-POS-590ac91e-18
0.462
MAT-POS-590ac91e-19
0.462
BRU-LEF-c49414a7-1
0.462
RAL-THA-901e9a10-7
0.462
VLA-UCB-00f2c2b3-2
0.459
BEN-DND-6de5dfa0-14
0.458
JOH-UNI-abfda500-6
0.456
ANN-UNI-98d2bf15-1
0.456
EDJ-MED-3c65e9ce-1
0.456
BEN-DND-93268d01-8
0.456
MAT-POS-590ac91e-5
0.455
ERI-UCB-5b47150d-6
0.455
MAK-UNK-372b0df5-2
0.453
BEN-DND-6de5dfa0-15
0.452
MAT-POS-c9973a83-1
0.452
NIR-THE-b7e8e081-1
0.451
WIL-MOD-03b86a88-4
0.450
GAB-REV-70cc3ca5-20
0.449
BEN-DND-93268d01-13
0.449
GAB-REV-70cc3ca5-21
0.448
DAR-DIA-6a508060-12
0.448
MAT-POS-590ac91e-22
0.448
PET-SGC-2e937068-1
0.446
ANN-UNI-98d2bf15-5
0.446
DAR-DIA-0cde14eb-1
0.446
ANN-UNI-98d2bf15-2
0.444
JAN-GHE-83b26c96-14
0.444
ALP-POS-95b75b4d-3
0.444
DAR-DIA-0cde14eb-76
0.444
BEN-DND-22e6b372-4
0.443
PET-SGC-83d43576-1
0.442
DAR-DIA-0cde14eb-2
0.440
TRY-UNI-2eddb1ff-7
0.439
RAL-THA-901e9a10-8
0.439
WIL-MOD-03b86a88-1
0.439
TRY-UNI-714a760b-20
0.438
BEN-DND-6de5dfa0-3
0.437
BEN-DND-6de5dfa0-5
0.437
NAU-LAT-3f5f3993-5
0.437
GAB-REV-70cc3ca5-13
0.437
BEN-DND-09b88bf4-3
0.437
MAT-POS-590ac91e-1
0.435
ERI-UCB-5b47150d-1
0.435
MAT-POS-590ac91e-2
0.435
MAT-POS-590ac91e-21
0.435
TRY-UNI-714a760b-16
0.435
DAR-DIA-0cde14eb-3
0.434
DAR-DIA-0cde14eb-4
0.434