Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1-c1cncc(NC(=O)C(C)c2cccc(Cl)c2)c1C |
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
0.651
TRY-UNI-714a760b-18
0.590
JAN-GHE-83b26c96-4
0.590
JAN-GHE-83b26c96-5
0.590
TRY-UNI-2eddb1ff-5
0.590
TRY-UNI-2eddb1ff-4
0.590
JAN-GHE-83b26c96-2
0.588
SAM-UNK-2684b532-7
0.577
MAK-UNK-f203cb68-11
0.576
TRY-UNI-714a760b-15
0.575
MAK-UNK-f203cb68-22
0.567
MAK-UNK-f203cb68-2
0.547
SAM-UNK-2684b532-6
0.524
SAM-UNK-2684b532-5
0.524
MAK-UNK-f203cb68-8
0.511
MAK-UNK-f203cb68-21
0.505
MAK-UNK-f203cb68-4
0.489
JAN-GHE-83b26c96-3
0.489
MAK-UNK-f203cb68-20
0.474
MAK-UNK-f203cb68-7
0.468
JAN-GHE-83b26c96-6
0.465
MAK-UNK-f203cb68-6
0.462
MAK-UNK-f203cb68-19
0.436
JAN-GHE-83b26c96-10
0.427
MAT-POS-1e5f28a7-1
0.422
JAN-GHE-83b26c96-9
0.420
MAK-UNK-f203cb68-10
0.418
EDG-MED-0da5ad92-5
0.404
TRY-UNI-2eddb1ff-3
0.402
MAK-UNK-f203cb68-5
0.398
JAN-GHE-83b26c96-8
0.398
TRY-UNI-714a760b-22
0.391
MAK-UNK-f203cb68-1
0.390
DAR-DIA-0cde14eb-12
0.389
DAR-DIA-0cde14eb-11
0.389
DAR-DIA-0cde14eb-13
0.389
MAK-UNK-f203cb68-3
0.385
MAK-UNK-129dcd6f-6
0.384
BEN-DND-93268d01-16
0.384
SAM-UNK-2684b532-1
0.383
TRY-UNI-714a760b-21
0.383
DAR-DIA-0cde14eb-10
0.379
VLA-UCB-05e51b3f-2
0.374
NAU-LAT-a5c7d7cb-3
0.374
SAM-UNK-2684b532-3
0.374
TRY-UNI-9f475305-3
0.374
MAK-UNK-f203cb68-17
0.368
DAR-DIA-0cde14eb-15
0.364
BRU-CON-67e07230-1
0.362
ALP-POS-0c2c77e1-1
0.362
MAT-POS-bb423b95-3
0.362
RYA-UNI-9b5114df-1
0.361
AHN-SAT-202241f6-1
0.360
BEN-DND-93268d01-15
0.360
TRY-UNI-714a760b-17
0.360
JAN-GHE-83b26c96-7
0.355
ALP-POS-ddb41b15-7
0.354
MAK-UNK-f203cb68-16
0.354
TRY-UNI-714a760b-14
0.352
EDJ-MED-cf4b0d25-4
0.350
MAK-UNK-ffc90da7-7
0.349
TRY-UNI-714a760b-12
0.348
JAG-UCB-cedd89ab-8
0.348
VLA-UNK-9a7dc93f-7
0.347
ADA-UCB-6c2cb422-9
0.346
MAK-UNK-129dcd6f-5
0.344
MIC-UNK-d36ab305-1
0.343
TRY-UNI-714a760b-9
0.337
JAN-GHE-83b26c96-22
0.337
EDG-MED-0da5ad92-10
0.337
WIL-MOD-03b86a88-3
0.337
TRY-UNI-2eddb1ff-8
0.337
ALP-POS-ddb41b15-1
0.336
JAN-GHE-83b26c96-1
0.330
MAT-POS-bb423b95-5
0.330
ALP-POS-f13221e1-4
0.330
TRY-UNI-714a760b-6
0.330
MAK-UNK-6ca90168-24
0.330
MAK-UNK-129dcd6f-7
0.327
MIC-UNK-6ab519a7-1
0.324
NAU-LAT-a5c7d7cb-2
0.324
MIC-UNK-5a93dd5f-10
0.324
NIR-THE-590dedc7-1
0.324
MAK-UNK-129dcd6f-3
0.323
MAK-UNK-f203cb68-9
0.320
MAT-POS-fce787c2-3
0.320
ALP-POS-95b75b4d-6
0.319
DAR-DIA-0cde14eb-56
0.317
DAR-DIA-0cde14eb-58
0.317
DAR-DIA-0cde14eb-57
0.317
PET-UNK-8df914d1-3
0.315
SAD-SAT-7d5528d9-5
0.314
MAK-UNK-129dcd6f-2
0.313
MIC-UNK-5a93dd5f-4
0.312
EDG-MED-0da5ad92-19
0.312
EDG-MED-0da5ad92-3
0.312
MAR-TRE-4b834d9a-26
0.311
DAR-DIA-0cde14eb-55
0.311
SAD-SAT-7d5528d9-50
0.311
DAR-DIA-0cde14eb-71
0.310