Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CNC(=O)Cc1cccnc1 |
| MW: | 284.319 |
| Fraction sp3: | 0.2 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 5 |
| TPSA: | 83.98 |
| cLogP: | 1.08242 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-479-852 |
| Order Status | |
| Ordered: | 2020-03-31 |
| Synthesis Location: | enamine |
| Shipped: | 2020-05-13 |
Dipeptide
MAK-UNK-6435e6c2-8
TRY-UNI-714a760b-5
0.531
MAK-UNK-6ca90168-26
0.500
JAN-GHE-83b26c96-13
0.486
TRY-UNI-714a760b-6
0.486
EDJ-MED-e58735b6-2
0.486
ALP-POS-95b75b4d-2
0.486
JAN-GHE-83b26c96-11
0.485
ALP-POS-95b75b4d-1
0.479
JAN-GHE-83b26c96-12
0.479
ASH-SAT-43770c7d-9
0.476
TRY-UNI-2eddb1ff-2
0.471
JOH-UNI-abfda500-6
0.471
ANN-UNI-98d2bf15-1
0.471
EDG-MED-0da5ad92-8
0.471
GAB-REV-70cc3ca5-5
0.469
GAB-REV-70cc3ca5-2
0.469
EDJ-MED-e58735b6-1
0.466
GAB-REV-70cc3ca5-20
0.465
ALE-HEI-f28a35b5-3
0.464
MIH-UNI-6b9ca91a-1
0.464
GAB-REV-70cc3ca5-21
0.464
ANN-UNI-98d2bf15-2
0.459
JAN-GHE-83b26c96-14
0.459
ALP-POS-95b75b4d-3
0.459
DAR-DIA-0cde14eb-76
0.459
EDJ-MED-c9f55a56-1
0.457
MAT-POS-590ac91e-11
0.455
ALE-HEI-f28a35b5-12
0.455
TRY-UNI-714a760b-20
0.453
AAR-POS-d2a4d1df-3
0.448
MAK-UNK-6435e6c2-8
0.448
DAR-DIA-0cde14eb-78
0.447
DAR-DIA-0cde14eb-79
0.447
EDJ-MED-e58735b6-3
0.447
ANN-UNI-98d2bf15-5
0.442
DAR-DIA-0cde14eb-1
0.442
ALP-POS-95b75b4d-4
0.442
TRY-UNI-2eddb1ff-1
0.440
ALP-POS-f13221e1-4
0.440
NAU-LAT-64f4b287-9
0.439
GAB-REV-70cc3ca5-14
0.439
BEN-DND-93268d01-10
0.437
MAT-POS-590ac91e-24
0.437
MAT-POS-590ac91e-10
0.437
DAR-DIA-0cde14eb-2
0.436
GAB-REV-70cc3ca5-9
0.436
PET-SGC-6e7c5dc0-1
0.435
MAT-POS-590ac91e-6
0.435
BEN-DND-93268d01-6
0.434
DAR-DIA-0cde14eb-14
0.432
MAT-POS-590ac91e-17
0.431
MAT-POS-590ac91e-15
0.431
DAR-DIA-0cde14eb-3
0.430
DAR-DIA-0cde14eb-4
0.430
DAR-DIA-0cde14eb-77
0.430
RAL-THA-6b94ceba-5
0.430
MAT-POS-590ac91e-9
0.429
MAT-POS-590ac91e-7
0.429
BEN-DND-93268d01-7
0.427
GAB-REV-70cc3ca5-17
0.425
GAB-REV-70cc3ca5-4
0.425
GAB-REV-70cc3ca5-11
0.425
BEN-DND-93268d01-5
0.425
BEN-DND-93268d01-13
0.425
PET-SGC-2e937068-1
0.423
BEN-DND-09b88bf4-5
0.423
BEN-DND-93268d01-9
0.423
BEN-DND-93268d01-11
0.423
MAT-POS-590ac91e-23
0.423
TRY-UNI-714a760b-10
0.423
ALE-HEI-f28a35b5-6
0.423
EDG-MED-0da5ad92-4
0.423
EDJ-MED-e58735b6-4
0.420
BEN-DND-93268d01-4
0.419
RAL-THA-6b94ceba-7
0.418
ALE-HEI-f28a35b5-10
0.417
BEN-DND-6de5dfa0-3
0.413
NAU-LAT-3f5f3993-5
0.413
BEN-DND-09b88bf4-3
0.413
MAK-UNK-6ca90168-27
0.413
MAK-UNK-129dcd6f-9
0.412
ALE-HEI-f28a35b5-13
0.412
EDJ-MED-3c65e9ce-1
0.411
BEN-DND-93268d01-8
0.411
RAL-THA-6b94ceba-6
0.410
MAT-POS-c9973a83-1
0.410
SAD-SAT-7d5528d9-1
0.410
WAR-XCH-e55cba98-11
0.407
ALE-HEI-f28a35b5-1
0.406
TRY-UNI-714a760b-4
0.406
BEN-DND-93268d01-14
0.405
EDJ-MED-3c65e9ce-4
0.405
DAR-DIA-0cde14eb-61
0.405
DAR-DIA-0cde14eb-64
0.405
MAK-UNK-129dcd6f-12
0.405
BRU-LEF-c49414a7-1
0.405
RAL-THA-901e9a10-7
0.405
ANT-DIA-3c79be55-2
0.403
BEN-DND-6de5dfa0-7
0.403
BEN-DND-6de5dfa0-16
0.403