Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1ccncc1NC(=O)C(C)c1cccc(Cl)c1 |
MW: | 408.14 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 83.98 |
cLogP: | 4.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
JAN-GHE-83b26c96-5
0.722
TRY-UNI-2eddb1ff-5
0.722
JAN-GHE-83b26c96-4
0.722
TRY-UNI-2eddb1ff-4
0.722
TRY-UNI-714a760b-18
0.722
MAK-UNK-f203cb68-2
0.622
MAK-UNK-f203cb68-21
0.591
MAK-UNK-f203cb68-22
0.584
SAM-UNK-2684b532-7
0.557
MAK-UNK-f203cb68-20
0.554
MAK-UNK-f203cb68-19
0.552
TRY-UNI-714a760b-6
0.551
JAN-GHE-83b26c96-9
0.543
SAM-UNK-2684b532-5
0.542
JAN-GHE-83b26c96-2
0.530
MAK-UNK-f203cb68-3
0.529
MAK-UNK-f203cb68-1
0.527
EDG-MED-0da5ad92-5
0.524
MAT-POS-1e5f28a7-1
0.524
SAM-UNK-2684b532-6
0.524
WIL-MOD-03b86a88-3
0.523
JAN-GHE-83b26c96-10
0.512
JAN-GHE-83b26c96-3
0.506
MAK-UNK-f203cb68-12
0.495
JAN-GHE-83b26c96-8
0.494
MAK-UNK-f203cb68-13
0.489
TRY-UNI-714a760b-22
0.488
ALP-POS-f13221e1-4
0.488
TRY-UNI-2eddb1ff-3
0.488
DAR-DIA-0cde14eb-12
0.483
DAR-DIA-0cde14eb-11
0.483
JAN-GHE-83b26c96-6
0.482
TRY-UNI-714a760b-15
0.482
TRY-UNI-2eddb1ff-2
0.481
EDG-MED-0da5ad92-8
0.481
SAM-UNK-2684b532-1
0.477
EDJ-MED-e58735b6-2
0.476
DAR-DIA-0cde14eb-10
0.472
DAR-DIA-0cde14eb-13
0.467
MAK-UNK-f203cb68-11
0.465
AHN-SAT-202241f6-1
0.463
TRY-UNI-714a760b-17
0.463
MAK-UNK-f203cb68-16
0.461
ALP-POS-95b75b4d-4
0.455
DAR-DIA-0cde14eb-15
0.452
TRY-UNI-9f475305-3
0.447
SAM-UNK-2684b532-3
0.447
NAU-LAT-a5c7d7cb-3
0.447
VLA-UCB-05e51b3f-2
0.447
JOH-UNI-abfda500-6
0.446
ANN-UNI-98d2bf15-1
0.446
EDG-MED-0da5ad92-7
0.446
NAU-LAT-30527ac5-2
0.446
MAK-UNK-f203cb68-17
0.444
MAT-POS-c9973a83-1
0.443
EDJ-MED-e58735b6-1
0.442
ALP-POS-95b75b4d-2
0.440
JAN-GHE-83b26c96-13
0.440
ADA-UCB-6c2cb422-9
0.440
RIT-AID-a492ba81-1
0.440
RAL-THA-6b94ceba-14
0.440
TRY-UNI-714a760b-5
0.438
ALP-POS-95b75b4d-1
0.435
JAN-GHE-83b26c96-12
0.435
RAL-THA-6b94ceba-8
0.435
NAU-LAT-0543f7f2-7
0.435
RAL-THA-6b94ceba-7
0.433
MAK-UNK-f203cb68-10
0.433
JAG-UCB-cedd89ab-8
0.429
TRY-UNI-714a760b-12
0.429
RAL-THA-6b94ceba-5
0.429
DAR-DIA-0cde14eb-79
0.427
RAL-THA-6b94ceba-6
0.427
RAL-THA-6b94ceba-12
0.424
EDG-MED-0da5ad92-6
0.424
ANN-UNI-98d2bf15-5
0.422
ALP-POS-95b75b4d-3
0.420
DAR-DIA-0cde14eb-76
0.420
ANN-UNI-98d2bf15-2
0.420
JAN-GHE-83b26c96-14
0.420
JAN-GHE-83b26c96-11
0.420
TRY-UNI-2eddb1ff-8
0.418
RAL-THA-6b94ceba-13
0.418
DAR-DIA-0cde14eb-2
0.418
VLA-UCB-00f2c2b3-2
0.418
MAK-UNK-f203cb68-8
0.417
EDJ-MED-c9f55a56-1
0.417
TRY-UNI-714a760b-20
0.416
WIL-MOD-03b86a88-2
0.415
MAT-POS-590ac91e-6
0.415
JAN-GHE-83b26c96-22
0.414
EDG-MED-0da5ad92-10
0.414
RAL-THA-6b94ceba-15
0.413
THO-SYG-cc9e9a11-2
0.413
DAR-DIA-0cde14eb-3
0.413
MAT-POS-044491d2-7
0.412
WIL-MOD-03b86a88-4
0.412
EDJ-MED-e58735b6-3
0.411
DAR-DIA-0cde14eb-78
0.411
RAL-THA-6b94ceba-11
0.411