Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cnn(C2(F)CC2)c1 |
MW: | 274.12 |
Fraction sp3: | 0.36 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 59.81 |
cLogP: | 2.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0cde14eb-61
0.721
DAR-DIA-0cde14eb-64
0.721
DAR-DIA-0cde14eb-62
0.710
DAR-DIA-0cde14eb-74
0.704
DAR-DIA-0cde14eb-67
0.547
JAN-GHE-83b26c96-11
0.529
DAR-DIA-0cde14eb-72
0.526
DAR-DIA-0cde14eb-2
0.513
TRY-UNI-714a760b-5
0.507
MIH-UNI-6b9ca91a-1
0.507
RAL-THA-6b94ceba-14
0.500
RAL-THA-6b94ceba-13
0.494
DAR-DIA-0cde14eb-1
0.481
ALP-POS-95b75b4d-1
0.480
JAN-GHE-83b26c96-12
0.480
MAT-POS-590ac91e-6
0.479
ALE-HEI-f28a35b5-12
0.478
EDG-MED-0da5ad92-8
0.473
TRY-UNI-2eddb1ff-2
0.473
DAR-DIA-0cde14eb-3
0.469
DAR-DIA-0cde14eb-4
0.469
RAL-THA-6b94ceba-6
0.468
JAN-GHE-83b26c96-13
0.467
EDJ-MED-e58735b6-2
0.467
TRY-UNI-714a760b-6
0.467
GAB-REV-70cc3ca5-20
0.467
ALP-POS-95b75b4d-2
0.467
MAT-POS-044491d2-2
0.466
ALE-HEI-f28a35b5-3
0.466
ANN-UNI-98d2bf15-5
0.463
DAR-DIA-0cde14eb-76
0.462
ALP-POS-95b75b4d-3
0.462
JAN-GHE-83b26c96-14
0.462
DAR-DIA-0cde14eb-18
0.461
MAT-POS-044491d2-6
0.461
MAT-POS-f42f3716-1
0.461
MAT-POS-590ac91e-24
0.459
EDJ-MED-c9f55a56-1
0.459
BEN-DND-93268d01-10
0.459
MAK-UNK-6ca90168-26
0.455
DAR-DIA-0cde14eb-14
0.452
MAT-POS-590ac91e-9
0.452
DAR-DIA-0cde14eb-78
0.450
MAT-POS-c9973a83-1
0.450
DAR-DIA-0cde14eb-79
0.450
EDJ-MED-e58735b6-3
0.450
EDJ-MED-e58735b6-1
0.449
BEN-DND-93268d01-5
0.447
BAR-COM-0f94fc3d-28
0.447
MAT-POS-e501d84c-1
0.447
BEN-DND-09b88bf4-5
0.446
BEN-DND-93268d01-11
0.446
BEN-DND-93268d01-9
0.446
RAL-THA-6b94ceba-16
0.446
ALP-POS-95b75b4d-4
0.444
DAR-DIA-0cde14eb-16
0.443
MAT-POS-f42f3716-6
0.443
ANN-UNI-98d2bf15-2
0.443
TRY-UNI-2eddb1ff-1
0.443
RAL-THA-6b94ceba-7
0.439
DAR-DIA-23e5a6a0-29
0.438
TRY-UNI-714a760b-20
0.438
MAT-POS-590ac91e-11
0.437
RAL-THA-6b94ceba-9
0.435
NAU-LAT-0543f7f2-6
0.435
WIL-MOD-03b86a88-2
0.435
ASH-SAT-43770c7d-9
0.435
MAT-POS-f42f3716-5
0.435
JOH-UNI-abfda500-6
0.434
ANN-UNI-98d2bf15-1
0.434
EDJ-MED-3c65e9ce-1
0.434
MAT-POS-590ac91e-15
0.434
BEN-DND-93268d01-8
0.434
RAL-THA-6b94ceba-5
0.434
RAL-THA-6b94ceba-15
0.434
DAR-DIA-0cde14eb-77
0.434
VLA-UCB-00f2c2b3-1
0.434
DAR-DIA-23e5a6a0-30
0.433
BEN-DND-09b88bf4-2
0.430
BEN-DND-03406596-7
0.430
BEN-DND-6de5dfa0-1
0.430
NIR-THE-b7e8e081-1
0.430
BEN-DND-93268d01-7
0.430
SAD-SAT-7d5528d9-1
0.430
RAL-THA-6b94ceba-12
0.429
DAR-DIA-0cde14eb-17
0.429
DAR-DIA-0cde14eb-19
0.429
DAR-DIA-23e5a6a0-23
0.429
EDJ-MED-3c65e9ce-4
0.429
WIL-MOD-03b86a88-3
0.429
WIL-MOD-03b86a88-5
0.429
NAU-LAT-0543f7f2-1
0.427
MAT-POS-044491d2-1
0.427
MAT-POS-044491d2-3
0.427
MAT-POS-f42f3716-7
0.424
DAR-DIA-23e5a6a0-24
0.424
RAL-THA-6b94ceba-8
0.424
WIL-MOD-03b86a88-6
0.424
NAU-LAT-0543f7f2-7
0.424
BEN-DND-22e6b372-4
0.423