Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CNC(=O)c1nnc2ccccn12 |
| MW: | 310.317 |
| Fraction sp3: | 0.13 |
| HBA: | 6 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 101.28 |
| cLogP: | 0.80122 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Dipeptide
MAK-UNK-6435e6c2-8
GAB-REV-70cc3ca5-13
0.469
GAB-REV-70cc3ca5-5
0.419
ASH-SAT-43770c7d-9
0.413
MAK-UNK-6ca90168-26
0.411
GAB-REV-70cc3ca5-14
0.409
GAB-REV-70cc3ca5-21
0.407
TRY-UNI-714a760b-5
0.405
TRY-UNI-714a760b-6
0.393
BEN-DND-93268d01-13
0.393
ALP-POS-95b75b4d-3
0.391
DAR-DIA-0cde14eb-76
0.391
JAN-GHE-83b26c96-14
0.391
ALP-POS-f13221e1-4
0.391
ALE-HEI-f28a35b5-3
0.390
JAN-GHE-83b26c96-12
0.388
BEN-DND-22e6b372-4
0.388
EDJ-MED-c9f55a56-1
0.386
PET-SGC-6e7c5dc0-1
0.383
DAR-DIA-0cde14eb-79
0.382
EDJ-MED-e58735b6-3
0.382
JOH-UNI-abfda500-6
0.381
TRY-UNI-2eddb1ff-2
0.381
ANN-UNI-98d2bf15-1
0.381
EDG-MED-0da5ad92-8
0.381
GAB-REV-70cc3ca5-19
0.380
GAB-REV-70cc3ca5-11
0.380
ALE-HEI-f28a35b5-12
0.380
MAT-POS-590ac91e-11
0.380
BEN-DND-22e6b372-3
0.379
GAB-REV-70cc3ca5-10
0.379
MAT-POS-590ac91e-7
0.378
PED-UNI-292b67d6-1
0.378
PET-SGC-2e937068-1
0.378
JAN-GHE-83b26c96-13
0.376
GAB-REV-70cc3ca5-20
0.376
EDJ-MED-3c65e9ce-4
0.376
ALP-POS-95b75b4d-2
0.376
EDJ-MED-e58735b6-2
0.376
GAB-REV-70cc3ca5-7
0.376
ANN-UNI-98d2bf15-2
0.375
TRY-UNI-714a760b-10
0.373
ALE-HEI-f28a35b5-6
0.373
EDG-MED-0da5ad92-4
0.373
BEN-DND-93268d01-11
0.373
BEN-DND-09b88bf4-5
0.373
BEN-DND-93268d01-9
0.373
ALP-POS-95b75b4d-1
0.372
BEN-DND-93268d01-4
0.372
BEN-DND-93268d01-6
0.371
JAN-GHE-83b26c96-11
0.370
DAR-DIA-0cde14eb-77
0.370
MAT-POS-590ac91e-24
0.369
BEN-DND-93268d01-10
0.369
BEN-DND-93268d01-12
0.368
BEN-DND-6de5dfa0-13
0.368
GAB-REV-70cc3ca5-3
0.367
MAK-UNK-6435e6c2-8
0.366
AAR-POS-d2a4d1df-3
0.366
MAT-POS-590ac91e-6
0.366
WAR-XCH-e55cba98-11
0.366
GAB-REV-70cc3ca5-4
0.366
GAB-REV-70cc3ca5-17
0.366
BAR-COM-0f94fc3d-18
0.366
EDJ-MED-3c65e9ce-1
0.365
BEN-DND-93268d01-8
0.365
MAT-POS-590ac91e-15
0.365
NIR-THE-b7e8e081-1
0.364
BEN-DND-6de5dfa0-4
0.364
EDJ-MED-e58735b6-1
0.364
BEN-DND-93268d01-7
0.364
BEN-DND-09b88bf4-4
0.364
ANN-UNI-98d2bf15-5
0.363
MAT-POS-590ac91e-9
0.361
MAK-UNK-6ca90168-27
0.360
BEN-DND-09b88bf4-6
0.360
BEN-DND-6de5dfa0-7
0.360
VLA-UCB-00f2c2b3-2
0.359
BAR-COM-0f94fc3d-25
0.359
GAB-REV-70cc3ca5-9
0.359
TRY-UNI-714a760b-4
0.358
ALE-HEI-f28a35b5-1
0.358
ANU-UNK-2781581f-1
0.358
NAU-LAT-0543f7f2-6
0.358
RED-SAT-26a928c9-1
0.358
MIH-UNI-6b9ca91a-1
0.357
BEN-DND-09b88bf4-7
0.357
MAT-POS-590ac91e-23
0.357
MAK-UNK-372b0df5-3
0.356
BEN-DND-6de5dfa0-14
0.356
BEN-DND-22e6b372-2
0.356
TRY-UNI-714a760b-20
0.356
BAR-COM-0f94fc3d-41
0.355
RAL-THA-6b94ceba-5
0.355
THO-SYG-cc9e9a11-2
0.355
RAL-THA-6b94ceba-15
0.355
MIH-UNI-6b9ca91a-3
0.354
GAB-REV-70cc3ca5-1
0.354
ALE-HEI-f28a35b5-10
0.353
MAT-POS-590ac91e-10
0.353
NAU-LAT-3f5f3993-5
0.352