Molecular Properties | |
SMILES: | CCC(F)(F)c1cccc(CC(=O)Nc2cnccc2C)c1 |
MW: | 304.14 |
Fraction sp3: | 0.29 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 41.99 |
cLogP: | 4.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-95b75b4d-3
0.769
JAN-GHE-83b26c96-14
0.769
DAR-DIA-0cde14eb-76
0.769
DAR-DIA-0cde14eb-79
0.746
ANN-UNI-98d2bf15-5
0.639
ALP-POS-95b75b4d-2
0.632
ALP-POS-95b75b4d-1
0.623
JAN-GHE-83b26c96-13
0.609
TRY-UNI-714a760b-6
0.609
EDJ-MED-e58735b6-2
0.609
JAN-GHE-83b26c96-12
0.600
DAR-DIA-0cde14eb-2
0.587
EDJ-MED-e58735b6-1
0.583
ANN-UNI-98d2bf15-2
0.575
TRY-UNI-714a760b-20
0.568
DAR-DIA-0cde14eb-78
0.560
EDJ-MED-e58735b6-3
0.560
ALP-POS-95b75b4d-4
0.553
DAR-DIA-0cde14eb-1
0.553
TRY-UNI-714a760b-5
0.544
DAR-DIA-0cde14eb-4
0.538
DAR-DIA-0cde14eb-3
0.538
EDJ-MED-e58735b6-4
0.525
MIH-UNI-6b9ca91a-1
0.521
DAR-DIA-0cde14eb-14
0.519
SAD-SAT-7d5528d9-1
0.512
RAL-THA-901e9a10-7
0.506
BRU-LEF-c49414a7-1
0.506
JOH-UNI-abfda500-7
0.500
JAN-GHE-83b26c96-11
0.500
JOH-UNI-61f30276-4
0.494
EDG-MED-0da5ad92-8
0.486
TRY-UNI-2eddb1ff-2
0.486
ASH-SAT-43770c7d-9
0.471
VLA-UCB-00f2c2b3-2
0.469
BEN-DND-93268d01-6
0.468
MAT-POS-044491d2-4
0.465
VLA-UCB-00f2c2b3-1
0.463
BEN-DND-93268d01-13
0.461
GAB-REV-70cc3ca5-20
0.461
GAB-REV-70cc3ca5-18
0.458
TRY-UNI-2eddb1ff-1
0.456
ALP-POS-f13221e1-4
0.456
EDJ-MED-c9f55a56-1
0.453
MAK-UNK-6ca90168-26
0.448
JOH-UNI-abfda500-6
0.447
ANN-UNI-98d2bf15-1
0.447
MAT-POS-c9973a83-1
0.444
RAL-THA-6b94ceba-6
0.444
RAL-THA-6b94ceba-12
0.440
WIL-MOD-03b86a88-5
0.440
RAL-THA-6b94ceba-16
0.440
ALE-HEI-f28a35b5-3
0.440
DAR-DIA-0cde14eb-61
0.439
MAT-POS-044491d2-3
0.438
JAN-GHE-83b26c96-23
0.438
NAU-LAT-0543f7f2-7
0.435
RAL-THA-6b94ceba-13
0.434
DAR-DIA-0cde14eb-63
0.434
RAL-THA-6b94ceba-7
0.434
ALE-HEI-f28a35b5-12
0.431
GAB-REV-70cc3ca5-13
0.430
NAU-LAT-0543f7f2-6
0.430
WIL-MOD-03b86a88-2
0.430
RAL-THA-6b94ceba-15
0.429
RAL-THA-6b94ceba-5
0.429
BEN-DND-93268d01-7
0.425
RAL-THA-6b94ceba-14
0.424
WIL-MOD-03b86a88-3
0.424
BEN-DND-93268d01-5
0.423
EDG-MED-0da5ad92-6
0.423
DAR-DIA-0cde14eb-64
0.422
BAR-COM-0f94fc3d-38
0.422
MAT-POS-f42f3716-8
0.421
ALP-POS-95b75b4d-9
0.420
SAM-UNK-2684b532-12
0.420
JIN-POS-6dc588a4-4
0.420
WIL-MOD-03b86a88-6
0.419
RAL-THA-6b94ceba-8
0.419
BEN-DND-22e6b372-4
0.418
MAK-UNK-372b0df5-3
0.418
RAL-THA-901e9a10-8
0.418
DAR-DIA-0cde14eb-62
0.417
THO-SYG-cc9e9a11-1
0.417
RAL-THA-6b94ceba-10
0.416
MAT-POS-590ac91e-10
0.416
BEN-DND-22e6b372-2
0.415
RAL-THA-6b94ceba-9
0.414
ADA-UCB-6c2cb422-4
0.414
PET-SGC-6e7c5dc0-1
0.413
MAT-POS-590ac91e-6
0.413
EDG-MED-0da5ad92-10
0.412
JAN-GHE-83b26c96-22
0.412
GAB-REV-70cc3ca5-23
0.412
RAL-THA-2d450e86-31
0.412
THO-SYG-cc9e9a11-2
0.412
RAL-THA-901e9a10-1
0.411
MAT-POS-044491d2-7
0.411
MAT-POS-590ac91e-11
0.411
MAT-POS-590ac91e-17
0.410