Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1-c1nccc(C)c1NC(=O)C(C)c1cccc(Cl)c1 |
MW: | 408.14 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 83.98 |
cLogP: | 4.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
MAK-UNK-f203cb68-12
0.598
MAK-UNK-f203cb68-13
0.576
MAK-UNK-f203cb68-20
0.558
JAN-GHE-83b26c96-4
0.554
JAN-GHE-83b26c96-5
0.554
TRY-UNI-714a760b-18
0.554
TRY-UNI-2eddb1ff-5
0.554
TRY-UNI-2eddb1ff-4
0.554
JAN-GHE-83b26c96-2
0.535
SAM-UNK-2684b532-7
0.524
MAK-UNK-f203cb68-2
0.500
MAK-UNK-f203cb68-21
0.495
SAM-UNK-2684b532-5
0.494
SAM-UNK-2684b532-6
0.478
MAK-UNK-f203cb68-4
0.465
MAK-UNK-f203cb68-22
0.460
JAN-GHE-83b26c96-3
0.448
JAN-GHE-83b26c96-6
0.440
TRY-UNI-714a760b-15
0.440
MAK-UNK-f203cb68-8
0.439
MAK-UNK-f203cb68-7
0.430
MAK-UNK-f203cb68-19
0.429
MAK-UNK-f203cb68-10
0.426
MAT-POS-1e5f28a7-1
0.415
JAN-GHE-83b26c96-9
0.413
MAK-UNK-f203cb68-6
0.410
MAK-UNK-f203cb68-3
0.408
MAK-UNK-f203cb68-5
0.406
JAN-GHE-83b26c96-10
0.404
EDG-MED-0da5ad92-5
0.398
SAM-UNK-2684b532-1
0.392
DAR-DIA-0cde14eb-10
0.388
MAK-UNK-f203cb68-1
0.385
DAR-DIA-0cde14eb-11
0.384
DAR-DIA-0cde14eb-12
0.384
DAR-DIA-0cde14eb-13
0.384
JAN-GHE-83b26c96-8
0.378
TRY-UNI-714a760b-22
0.371
BAR-COM-0f94fc3d-46
0.370
NAU-LAT-a5c7d7cb-3
0.369
VLA-UCB-05e51b3f-2
0.369
TRY-UNI-2eddb1ff-3
0.366
DAR-DIA-0cde14eb-15
0.359
TRY-UNI-9f475305-3
0.356
SAM-UNK-2684b532-3
0.356
ADA-UCB-6c2cb422-9
0.355
JAN-GHE-83b26c96-7
0.351
MAT-POS-bb423b95-3
0.343
ALP-POS-0c2c77e1-1
0.343
BRU-CON-67e07230-1
0.343
RYA-UNI-9b5114df-1
0.343
MAK-UNK-129dcd6f-1
0.343
AHN-SAT-202241f6-1
0.341
TRY-UNI-714a760b-17
0.341
MAK-UNK-f203cb68-17
0.337
ALP-POS-ddb41b15-7
0.337
MAK-UNK-f203cb68-16
0.337
WIL-MOD-03b86a88-3
0.333
ALP-POS-ddb41b15-1
0.333
TRY-UNI-2eddb1ff-8
0.333
JAG-UCB-cedd89ab-8
0.330
TRY-UNI-714a760b-12
0.330
TRY-UNI-714a760b-6
0.326
SAD-SAT-7d5528d9-50
0.321
EDJ-MED-cf4b0d25-4
0.321
MAK-UNK-f203cb68-18
0.320
JAN-GHE-83b26c96-22
0.320
EDG-MED-0da5ad92-10
0.320
EDJ-MED-49816e9b-2
0.319
MAK-UNK-f203cb68-9
0.318
MAT-POS-bb423b95-5
0.313
ALP-POS-f13221e1-4
0.313
MAK-UNK-6ca90168-24
0.312
BEN-DND-93268d01-15
0.312
SAD-SAT-7d5528d9-5
0.311
BAR-COM-0f94fc3d-19
0.310
JAN-GHE-83b26c96-20
0.310
EDG-MED-0da5ad92-11
0.310
MAK-UNK-ffc90da7-7
0.310
EDG-MED-0da5ad92-3
0.309
EDG-MED-0da5ad92-19
0.309
EDG-MED-0da5ad92-18
0.309
MAK-UNK-f203cb68-15
0.308
MAK-UNK-f203cb68-14
0.308
DAR-DIA-0cde14eb-71
0.308
ERI-UCB-5b47150d-1
0.307
MAT-POS-590ac91e-1
0.307
MAT-POS-590ac91e-2
0.307
SAD-SAT-7d5528d9-6
0.306
EDG-MED-0da5ad92-20
0.306
MAK-UNK-129dcd6f-6
0.305
VLA-UNK-9a7dc93f-7
0.305
MIC-UNK-d36ab305-1
0.304
SAD-SAT-7d5528d9-7
0.303
BAR-COM-0f94fc3d-25
0.301
DAR-DIA-0cde14eb-70
0.301
SAD-SAT-7d5528d9-4
0.300
JAN-GHE-83b26c96-1
0.300
JAN-GHE-83b26c96-23
0.300
EDG-MED-0da5ad92-6
0.299