Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CNC(=O)c1ccc2nc[nH]c2c1 |
| MW: | 309.329 |
| Fraction sp3: | 0.12 |
| HBA: | 4 |
| HBD: | 3 |
| Rotatable Bonds: | 4 |
| TPSA: | 99.77 |
| cLogP: | 1.63482 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Dipeptide
MAK-UNK-6435e6c2-8
GAB-REV-70cc3ca5-18
0.588
GAB-REV-70cc3ca5-13
0.469
GAB-REV-70cc3ca5-2
0.419
ASH-SAT-43770c7d-9
0.413
MAK-UNK-6ca90168-26
0.411
GAB-REV-70cc3ca5-14
0.409
ANN-UNI-98d2bf15-2
0.407
TRY-UNI-714a760b-5
0.405
GAB-REV-70cc3ca5-9
0.404
EDJ-MED-c9f55a56-1
0.402
MAT-POS-590ac91e-11
0.397
ALE-HEI-f28a35b5-12
0.397
GAB-REV-70cc3ca5-17
0.396
MAT-POS-590ac91e-23
0.390
GAB-REV-70cc3ca5-21
0.390
BEN-DND-93268d01-4
0.388
ALP-POS-95b75b4d-1
0.388
THO-SYG-cc9e9a11-2
0.385
MAK-UNK-129dcd6f-9
0.385
EDG-MED-0da5ad92-8
0.381
TRY-UNI-2eddb1ff-2
0.381
GAB-REV-70cc3ca5-11
0.380
GAB-REV-70cc3ca5-4
0.380
MAT-POS-590ac91e-7
0.378
PED-UNI-292b67d6-1
0.378
BEN-DND-93268d01-5
0.376
EDJ-MED-e58735b6-2
0.376
MAK-UNK-6ca90168-24
0.376
JAN-GHE-83b26c96-13
0.376
TRY-UNI-714a760b-6
0.376
ALP-POS-95b75b4d-2
0.376
GAB-REV-70cc3ca5-20
0.376
ALP-POS-f13221e1-4
0.375
VLA-UCB-00f2c2b3-2
0.374
RAL-THA-6b94ceba-7
0.374
ALE-HEI-f28a35b5-3
0.373
MIH-UNI-6b9ca91a-1
0.373
TRY-UNI-714a760b-10
0.373
EDG-MED-0da5ad92-4
0.373
ALE-HEI-f28a35b5-6
0.373
RAL-THA-6b94ceba-9
0.372
JAN-GHE-83b26c96-12
0.372
BEN-DND-93268d01-6
0.371
JAN-GHE-83b26c96-11
0.370
VLA-UCB-00f2c2b3-1
0.370
MAT-POS-590ac91e-10
0.369
RAL-THA-6b94ceba-11
0.368
GAB-REV-70cc3ca5-1
0.367
RAL-THA-6b94ceba-6
0.367
DAR-DIA-0cde14eb-78
0.367
GAB-REV-70cc3ca5-3
0.367
MAK-UNK-6435e6c2-8
0.366
AAR-POS-d2a4d1df-3
0.366
MAT-POS-590ac91e-6
0.366
PET-SGC-6e7c5dc0-1
0.366
WAR-XCH-e55cba98-11
0.366
GAB-REV-70cc3ca5-19
0.366
JOH-UNI-abfda500-6
0.365
MAT-POS-590ac91e-17
0.365
MAT-POS-590ac91e-15
0.365
ANN-UNI-98d2bf15-1
0.365
EDJ-MED-e58735b6-1
0.364
MAT-POS-f42f3716-3
0.363
ALP-POS-95b75b4d-4
0.363
MAK-UNK-129dcd6f-12
0.363
PET-SGC-2e937068-1
0.363
ALE-HEI-f28a35b5-13
0.362
GAB-REV-70cc3ca5-7
0.362
MAT-POS-590ac91e-9
0.361
BEN-DND-93268d01-13
0.360
DAR-DIA-0cde14eb-76
0.360
JAN-GHE-83b26c96-14
0.360
ALP-POS-95b75b4d-3
0.360
THO-SYG-cc9e9a11-1
0.359
MAK-UNK-f203cb68-3
0.358
BEN-DND-09b88bf4-5
0.357
BEN-DND-93268d01-9
0.357
BEN-DND-93268d01-11
0.357
RAL-THA-6b94ceba-3
0.356
BEN-DND-22e6b372-4
0.356
TRY-UNI-714a760b-20
0.356
RAL-THA-6b94ceba-5
0.355
GAB-REV-70cc3ca5-12
0.354
BEN-DND-93268d01-10
0.353
MAT-POS-590ac91e-24
0.353
ALE-HEI-f28a35b5-10
0.353
EDG-MED-0da5ad92-9
0.352
BEN-DND-6de5dfa0-5
0.352
DAR-DIA-0cde14eb-79
0.352
EDJ-MED-e58735b6-3
0.352
WIL-WAB-6ef46ddb-1
0.351
PET-SGC-d5b502b1-1
0.351
BEN-DND-09b88bf4-1
0.351
BEN-DND-6de5dfa0-2
0.351
RAL-THA-901e9a10-7
0.351
BRU-LEF-c49414a7-1
0.351
THO-SYG-cc9e9a11-4
0.350
EDJ-MED-3c65e9ce-1
0.349
BEN-DND-93268d01-8
0.349
MAT-POS-590ac91e-25
0.348