Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1-c1cc(Cl)cc(C(C)C(=O)Nc2cnccc2C)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-f203cb68-8
0.576
MAK-UNK-f203cb68-16
0.561
MAK-UNK-f203cb68-6
0.540
TRY-UNI-2eddb1ff-3
0.538
TRY-UNI-714a760b-18
0.525
JAN-GHE-83b26c96-5
0.525
TRY-UNI-2eddb1ff-4
0.525
TRY-UNI-2eddb1ff-5
0.525
JAN-GHE-83b26c96-4
0.525
TRY-UNI-2eddb1ff-8
0.522
MAK-UNK-f203cb68-5
0.517
TRY-UNI-714a760b-17
0.474
AHN-SAT-202241f6-1
0.474
MAK-UNK-f203cb68-12
0.474
MAK-UNK-f203cb68-13
0.468
MAK-UNK-f203cb68-17
0.455
WIL-MOD-03b86a88-3
0.449
DAR-DIA-0cde14eb-71
0.449
MAT-POS-590ac91e-13
0.442
MAK-UNK-f203cb68-21
0.438
JAN-GHE-83b26c96-10
0.437
TRY-UNI-714a760b-22
0.432
JAN-GHE-83b26c96-9
0.430
EDG-MED-0da5ad92-5
0.430
MAK-UNK-f203cb68-11
0.430
DAR-DIA-0cde14eb-11
0.429
DAR-DIA-0cde14eb-13
0.429
DAR-DIA-0cde14eb-70
0.427
DAR-DIA-0cde14eb-72
0.422
DAR-DIA-0cde14eb-73
0.422
MAT-POS-590ac91e-1
0.421
ERI-UCB-5b47150d-1
0.421
MAT-POS-590ac91e-2
0.421
MAT-POS-5d20d11c-1
0.418
MAT-POS-590ac91e-16
0.418
DAR-DIA-0cde14eb-10
0.418
MAK-UNK-f203cb68-15
0.418
MAK-UNK-f203cb68-19
0.415
MAK-UNK-6435e6c2-8
0.414
AAR-POS-d2a4d1df-3
0.414
DAR-DIA-0cde14eb-28
0.414
DAR-DIA-0cde14eb-12
0.413
DAR-DIA-0cde14eb-26
0.410
MAK-UNK-f203cb68-4
0.408
DAR-DIA-0cde14eb-75
0.404
DAR-DIA-0cde14eb-25
0.404
MAK-UNK-f203cb68-22
0.404
MAT-POS-1e5f28a7-1
0.400
DAR-DIA-0cde14eb-15
0.400
DAR-DIA-0cde14eb-27
0.400
MAK-UNK-f203cb68-1
0.398
MAK-UNK-f203cb68-20
0.396
MAK-UNK-f203cb68-3
0.394
JAN-GHE-83b26c96-8
0.391
SAM-UNK-2684b532-1
0.391
JAN-GHE-83b26c96-2
0.389
TRY-UNI-714a760b-16
0.388
MAK-UNK-f203cb68-14
0.387
MAK-UNK-6ca90168-27
0.387
MAT-POS-f42f3716-7
0.386
MAT-POS-590ac91e-5
0.386
DAR-DIA-0cde14eb-30
0.385
JAN-GHE-f4ca5a00-15
0.383
VLA-UCB-05e51b3f-2
0.381
NAU-LAT-a5c7d7cb-3
0.381
BEN-DND-93268d01-3
0.376
SAM-UNK-2684b532-7
0.375
MAT-POS-f42f3716-6
0.374
BEN-DND-6de5dfa0-10
0.372
BEN-DND-93268d01-14
0.368
SAM-UNK-2684b532-3
0.367
TRY-UNI-9f475305-3
0.367
ALP-POS-3fc1724e-6
0.366
ABI-SAT-4d06482b-1
0.365
RAL-THA-6b94ceba-9
0.365
MAK-UNK-f203cb68-2
0.365
ALP-POS-3fc1724e-7
0.364
MAK-UNK-6ca90168-26
0.364
EDG-MED-0da5ad92-3
0.364
MAT-POS-590ac91e-14
0.364
ALP-POS-3fc1724e-5
0.363
MAR-UCB-ad2ff052-1
0.363
MAT-POS-f42f3716-4
0.363
RAL-THA-6b94ceba-5
0.362
DAN-RED-da448e80-9
0.362
MAT-POS-f42f3716-2
0.359
ADA-UCB-6c2cb422-2
0.358
JAG-UCB-cedd89ab-8
0.356
TRY-UNI-714a760b-12
0.356
EDG-MED-0da5ad92-8
0.356
TRY-UNI-2eddb1ff-2
0.356
MAT-POS-f42f3716-5
0.356
MAT-POS-f42f3716-3
0.356
SAM-UNK-2684b532-6
0.355
MAK-UNK-902cc841-17
0.354
MAK-UNK-f203cb68-9
0.354
MAT-POS-590ac91e-7
0.353
ADA-UCB-6c2cb422-9
0.352
MAK-UNK-6ca90168-24
0.352
MAT-POS-6c3d76b3-1
0.352