Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1-c1ccc(C(C)C(=O)Nc2cnccc2C)cc1Cl |
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-f203cb68-6
0.610
MAK-UNK-f203cb68-17
0.595
MAK-UNK-f203cb68-7
0.576
TRY-UNI-714a760b-18
0.538
TRY-UNI-2eddb1ff-4
0.538
JAN-GHE-83b26c96-4
0.538
JAN-GHE-83b26c96-5
0.538
TRY-UNI-2eddb1ff-5
0.538
MAK-UNK-f203cb68-5
0.529
TRY-UNI-2eddb1ff-3
0.513
MAK-UNK-f203cb68-13
0.511
MAK-UNK-f203cb68-12
0.500
AHN-SAT-202241f6-1
0.487
TRY-UNI-714a760b-17
0.487
TRY-UNI-714a760b-22
0.476
DAR-DIA-0cde14eb-11
0.471
DAR-DIA-0cde14eb-13
0.471
MAK-UNK-f203cb68-16
0.465
DAR-DIA-0cde14eb-10
0.460
DAR-DIA-0cde14eb-12
0.455
MAK-UNK-f203cb68-21
0.447
DAR-DIA-0cde14eb-71
0.443
DAR-DIA-0cde14eb-15
0.440
MAK-UNK-f203cb68-11
0.439
MAT-POS-590ac91e-13
0.434
MAT-POS-590ac91e-1
0.432
ERI-UCB-5b47150d-1
0.432
MAT-POS-590ac91e-2
0.432
MAK-UNK-f203cb68-22
0.427
AAR-POS-d2a4d1df-3
0.426
MAK-UNK-6435e6c2-8
0.426
TRY-UNI-2eddb1ff-8
0.421
DAR-DIA-0cde14eb-70
0.420
MAK-UNK-f203cb68-4
0.417
DAR-DIA-0cde14eb-72
0.416
DAR-DIA-0cde14eb-73
0.416
MAK-UNK-f203cb68-15
0.411
MAK-UNK-f203cb68-14
0.411
MAT-POS-5d20d11c-1
0.410
MAT-POS-590ac91e-16
0.410
MAT-POS-1e5f28a7-1
0.409
DAR-DIA-0cde14eb-28
0.408
JAN-GHE-83b26c96-9
0.407
DAR-DIA-0cde14eb-26
0.404
SAM-UNK-2684b532-7
0.400
DAR-DIA-0cde14eb-25
0.398
DAR-DIA-0cde14eb-75
0.398
JAN-GHE-83b26c96-2
0.398
JAN-GHE-83b26c96-10
0.398
DAR-DIA-0cde14eb-27
0.394
MAK-UNK-f203cb68-19
0.394
EDG-MED-0da5ad92-5
0.391
MAK-UNK-f203cb68-20
0.390
MAK-UNK-f203cb68-3
0.387
DAN-RED-da448e80-9
0.385
BEN-DND-6de5dfa0-10
0.381
WIL-MOD-03b86a88-3
0.380
DAR-DIA-0cde14eb-30
0.379
MAT-POS-590ac91e-5
0.378
MAK-UNK-f203cb68-1
0.378
BEN-DND-93268d01-14
0.376
MAK-UNK-6ca90168-24
0.376
NAU-LAT-a5c7d7cb-3
0.375
VLA-UCB-05e51b3f-2
0.375
ABI-SAT-4d06482b-1
0.373
MAK-UNK-f203cb68-2
0.372
MAT-POS-590ac91e-14
0.372
SAM-UNK-2684b532-1
0.370
JAN-GHE-83b26c96-8
0.370
MAK-UNK-129dcd6f-6
0.369
BEN-DND-93268d01-3
0.369
ERI-UCB-5b47150d-4
0.367
TRY-UNI-714a760b-16
0.365
MAT-POS-590ac91e-11
0.362
SAM-UNK-2684b532-3
0.361
TRY-UNI-9f475305-3
0.361
BAR-COM-0f94fc3d-19
0.356
MAK-UNK-6ca90168-26
0.355
RAL-THA-6b94ceba-5
0.355
BEN-DND-93268d01-2
0.352
JAG-UCB-cedd89ab-8
0.349
TRY-UNI-714a760b-12
0.349
MAT-POS-fce787c2-3
0.348
SAM-UNK-2684b532-5
0.348
SAM-UNK-2684b532-6
0.348
MAK-UNK-902cc841-17
0.347
BEN-DND-93268d01-15
0.345
MAT-POS-590ac91e-7
0.345
MAK-UNK-6ca90168-27
0.342
ASH-SAT-43770c7d-9
0.342
GAB-REV-70cc3ca5-21
0.341
DAR-DIA-6a508060-12
0.341
EDG-MED-0da5ad92-19
0.341
DAN-RED-da448e80-5
0.340
MAT-POS-f42f3716-2
0.340
MAT-POS-590ac91e-26
0.337
MAK-UNK-f203cb68-18
0.337
ADA-UCB-6c2cb422-2
0.337
MAK-UNK-902cc841-15
0.337
ADA-UCB-6c2cb422-9
0.333