Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CC(O)C1CC1 |
| MW: | 220.12 |
| Fraction sp3: | 0.5 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 62.22 |
| cLogP: | 1.49 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z3349364836 |
| Enamine Extended REAL: | s_22____3391102____13940496 |
| Mcule: | MCULE-1310080513 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-07-08 |
AAR-POS-d2a4d1df-1
MAT-POS-590ac91e-11
0.607
MAK-UNK-6ca90168-26
0.556
TRY-UNI-714a760b-10
0.532
ALE-HEI-f28a35b5-6
0.532
EDG-MED-0da5ad92-4
0.532
MAK-UNK-6435e6c2-8
0.529
AAR-POS-d2a4d1df-3
0.529
ASH-SAT-43770c7d-9
0.526
ALE-HEI-f28a35b5-12
0.525
MAT-POS-590ac91e-10
0.524
MAT-POS-590ac91e-5
0.516
MAT-POS-590ac91e-23
0.508
EDJ-MED-3c65e9ce-4
0.508
MAT-POS-590ac91e-6
0.500
MAT-POS-590ac91e-24
0.500
ALP-POS-90c18d1d-1
0.493
EDG-MED-0da5ad92-9
0.493
TRY-UNI-714a760b-16
0.492
MAT-POS-590ac91e-9
0.492
PET-SGC-a8a902d9-1
0.487
MAT-POS-590ac91e-25
0.485
BEN-DND-09b88bf4-5
0.484
BEN-DND-93268d01-9
0.484
BEN-DND-93268d01-11
0.484
GAB-REV-70cc3ca5-21
0.484
TRY-UNI-714a760b-5
0.484
JAN-GHE-83b26c96-11
0.484
MAK-UNK-6ca90168-27
0.482
ALP-POS-95b75b4d-4
0.479
MAT-POS-590ac91e-14
0.478
BEN-DND-93268d01-10
0.477
ALE-HEI-f28a35b5-10
0.477
PET-SGC-6e7c5dc0-1
0.476
BEN-DND-6de5dfa0-14
0.471
JOH-UNI-abfda500-6
0.470
ANN-UNI-98d2bf15-1
0.470
MAT-POS-590ac91e-15
0.470
EDJ-MED-3c65e9ce-1
0.470
BEN-DND-93268d01-8
0.470
ERI-UCB-5b47150d-6
0.469
ALE-HEI-f28a35b5-7
0.469
TRY-UNI-714a760b-11
0.469
BEN-DND-6de5dfa0-15
0.465
MIH-UNI-6b9ca91a-1
0.462
ALE-HEI-f28a35b5-3
0.462
PET-SGC-d5b502b1-1
0.459
WIL-WAB-6ef46ddb-1
0.459
NIR-THE-b7e8e081-2
0.457
BEN-DND-6de5dfa0-16
0.457
MAK-UNK-372b0df5-3
0.456
BEN-DND-93268d01-4
0.456
BEN-DND-22e6b372-4
0.456
EDJ-MED-c9f55a56-1
0.455
PET-SGC-a3e47117-1
0.455
MAT-POS-590ac91e-18
0.453
MAT-POS-590ac91e-19
0.453
MAT-POS-590ac91e-13
0.452
MAT-POS-590ac91e-2
0.450
ERI-UCB-5b47150d-1
0.450
MAT-POS-590ac91e-1
0.450
BEN-DND-09b88bf4-3
0.449
BEN-DND-6de5dfa0-3
0.449
NAU-LAT-3f5f3993-5
0.449
BEN-DND-6de5dfa0-5
0.449
MAT-POS-590ac91e-17
0.448
EDG-MED-0da5ad92-8
0.448
TRY-UNI-2eddb1ff-2
0.448
MAK-UNK-f203cb68-3
0.447
GAB-REV-70cc3ca5-3
0.444
BEN-DND-03406596-7
0.443
BEN-DND-6de5dfa0-4
0.443
BEN-DND-6de5dfa0-1
0.443
BEN-DND-09b88bf4-2
0.443
BEN-DND-09b88bf4-4
0.443
BEN-DND-22e6b372-3
0.443
NIR-THE-b7e8e081-1
0.443
BEN-DND-93268d01-7
0.443
TRY-UNI-714a760b-6
0.441
EDJ-MED-e58735b6-2
0.441
BEN-DND-93268d01-5
0.441
JAN-GHE-83b26c96-13
0.441
ALP-POS-95b75b4d-2
0.441
BEN-DND-93268d01-13
0.441
GAB-REV-70cc3ca5-20
0.441
RAL-THA-6b94ceba-12
0.440
GAB-REV-70cc3ca5-4
0.440
MAT-POS-590ac91e-22
0.439
DAR-DIA-0cde14eb-61
0.438
DAR-DIA-0cde14eb-64
0.438
BEN-DND-09b88bf4-6
0.437
BEN-DND-6de5dfa0-7
0.437
SAM-UNK-2684b532-9
0.436
ERI-UCB-5b47150d-4
0.435
TRY-UNI-9f475305-2
0.435
ALP-POS-95b75b4d-1
0.435
JAN-GHE-83b26c96-12
0.435
BEN-DND-93268d01-3
0.433
THO-SYG-cc9e9a11-1
0.432
BEN-DND-22e6b372-2
0.431
WIL-MOD-03b86a88-2
0.429