Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)Cc1nc2ccccc2[nH]1 |
| MW: | 266.304 |
| Fraction sp3: | 0.13 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 70.67 |
| cLogP: | 2.44752 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
TRY-UNI-714a760b-5
0.507
ANN-UNI-98d2bf15-1
0.493
JOH-UNI-abfda500-6
0.493
GAB-REV-70cc3ca5-17
0.481
GAB-REV-70cc3ca5-7
0.476
JAN-GHE-83b26c96-11
0.465
ALP-POS-95b75b4d-1
0.461
EDJ-MED-c9f55a56-1
0.459
ALE-HEI-f28a35b5-12
0.457
MAK-UNK-6ca90168-26
0.455
TRY-UNI-2eddb1ff-2
0.453
EDG-MED-0da5ad92-8
0.453
GAB-REV-70cc3ca5-23
0.451
GAB-REV-70cc3ca5-20
0.447
TRY-UNI-714a760b-6
0.447
ALP-POS-95b75b4d-2
0.447
JAN-GHE-83b26c96-13
0.447
EDJ-MED-e58735b6-2
0.447
MIH-UNI-6b9ca91a-1
0.446
ALE-HEI-f28a35b5-3
0.446
GAB-REV-70cc3ca5-18
0.446
JAN-GHE-83b26c96-12
0.442
VLA-UCB-00f2c2b3-2
0.439
THO-SYG-cc9e9a11-1
0.439
PET-SGC-6e7c5dc0-1
0.438
GAB-REV-70cc3ca5-13
0.436
ASH-SAT-43770c7d-9
0.435
THO-SYG-cc9e9a11-2
0.434
VLA-UCB-00f2c2b3-1
0.434
BEN-DND-93268d01-7
0.430
EDJ-MED-e58735b6-1
0.430
BEN-DND-93268d01-5
0.429
GAB-REV-70cc3ca5-6
0.429
GAB-REV-70cc3ca5-4
0.429
ALP-POS-95b75b4d-4
0.427
ANN-UNI-98d2bf15-2
0.425
ALP-POS-95b75b4d-3
0.425
JAN-GHE-83b26c96-14
0.425
DAR-DIA-0cde14eb-76
0.425
BEN-DND-93268d01-4
0.423
MAT-POS-590ac91e-10
0.421
ALE-HEI-f28a35b5-10
0.421
MAT-POS-590ac91e-24
0.421
TRY-UNI-714a760b-20
0.420
MAT-POS-590ac91e-6
0.419
NAU-LAT-30527ac5-2
0.419
ADA-UCB-6c2cb422-4
0.419
MAT-POS-590ac91e-11
0.417
MAT-POS-590ac91e-17
0.416
EDJ-MED-e58735b6-3
0.415
DAR-DIA-0cde14eb-78
0.415
DAR-DIA-0cde14eb-79
0.415
MAT-POS-590ac91e-7
0.413
GAB-REV-70cc3ca5-11
0.412
GAB-REV-70cc3ca5-15
0.412
BEN-DND-93268d01-13
0.410
DAR-DIA-0cde14eb-64
0.410
ANN-UNI-98d2bf15-5
0.410
DAR-DIA-0cde14eb-1
0.410
SAM-UNK-2684b532-9
0.409
MAT-POS-590ac91e-23
0.408
GAB-REV-70cc3ca5-21
0.408
TRY-UNI-2eddb1ff-1
0.407
EDJ-MED-e58735b6-4
0.407
AAR-POS-d2a4d1df-3
0.406
MAK-UNK-6435e6c2-8
0.406
DAR-DIA-0cde14eb-2
0.405
GAB-REV-70cc3ca5-5
0.404
RAL-THA-6b94ceba-9
0.402
DAR-DIA-0cde14eb-4
0.400
DAR-DIA-0cde14eb-77
0.400
RAL-THA-6b94ceba-5
0.400
DAR-DIA-0cde14eb-3
0.400
RAL-THA-6b94ceba-15
0.400
RAL-THA-6b94ceba-6
0.398
MAT-POS-c9973a83-1
0.398
MAK-UNK-6ca90168-27
0.397
RAL-THA-6b94ceba-12
0.395
PET-SGC-175e168c-1
0.395
TRY-UNI-1fd04853-1
0.395
MAT-POS-590ac91e-9
0.395
RAM-SYN-2a37ce6c-3
0.394
BRU-LEF-c49414a7-1
0.393
RAL-THA-901e9a10-7
0.393
PET-SGC-2e937068-1
0.393
DAR-DIA-0cde14eb-61
0.393
ALE-HEI-f28a35b5-1
0.392
MAK-UNK-3ae66343-1
0.392
TRY-UNI-714a760b-4
0.392
THO-SYG-cc9e9a11-4
0.391
NAU-LAT-0543f7f2-7
0.391
RAL-THA-6b94ceba-8
0.391
WIL-MOD-03b86a88-6
0.391
ALP-POS-f13221e1-4
0.390
BEN-DND-09b88bf4-5
0.390
BEN-DND-93268d01-9
0.390
ALE-HEI-f28a35b5-6
0.390
TRY-UNI-714a760b-10
0.390
BEN-DND-93268d01-11
0.390
EDG-MED-0da5ad92-4
0.390