Chemoinformaics analysis of KAEMPFEROL-3-O-ALPHA-L-RHAMNOFURANOSIDE
Molecular Weight | 432.381 | nRot | 4 |
Heavy Atom Molecular Weight | 412.221 | nRig | 23 |
Exact Molecular Weight | 432.106 | nRing | 4 |
Solubility: LogS | -4.056 | nHRing | 2 |
Solubility: LogP | 1.276 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 51 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 31 | No. of Aromatic Carbocycles | 2 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 21 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 10 | No. of Arom Bond | 17 |
nHA | 10 | APOL | 56.4259 |
nHD | 6 | BPOL | 26.1401 |
QED | 0.346 |
Synth | 3.975 |
Natural Product Likeliness | 2.003 |
NR-PPAR-gamma | 0.956 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.003 |
Pgp-sub | 0.724 |
HIA | 0.31 |
CACO-2 | -6.01 |
MDCK | 0.00000853 |
BBB | 0.016 |
PPB | 0.913168 |
VDSS | 0.919 |
FU | 0.0832296 |
CYP1A2-inh | 0.1 |
CYP1A2-sub | 0.059 |
CYP2c19-inh | 0.025 |
CYP2c19-sub | 0.055 |
CYP2c9-inh | 0.078 |
CYP2c9-sub | 0.812 |
CYP2d6-inh | 0.296 |
CYP2d6-sub | 0.217 |
CYP3a4-inh | 0.103 |
CYP3a4-sub | 0.034 |
CL | 3.43 |
T12 | 0.731 |
hERG | 0.02 |
Ames | 0.753 |
ROA | 0.114 |
SkinSen | 0.06 |
Carcinogencity | 0.245 |
EI | 0.016 |
Respiratory | 0.047 |
NR-Aromatase | 0.949 |
Antiviral | Yes |
Prediction | 0.859393 |