Chemoinformaics analysis of ISORHAMNETIN
Molecular Weight | 316.265 | nRot | 2 |
Heavy Atom Molecular Weight | 304.169 | nRig | 18 |
Exact Molecular Weight | 316.058 | nRing | 3 |
Solubility: LogS | -3.748 | nHRing | 1 |
Solubility: LogP | 2.541 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 35 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 2 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 7 | No. of Arom Bond | 17 |
nHA | 7 | APOL | 40.3355 |
nHD | 4 | BPOL | 16.3785 |
QED | 0.572 |
Synth | 2.453 |
Natural Product Likeliness | 1.566 |
NR-PPAR-gamma | 0.963 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.008 |
Pgp-sub | 0.042 |
HIA | 0.024 |
CACO-2 | -5.056 |
MDCK | 0.00000945 |
BBB | 0.005 |
PPB | 0.962347 |
VDSS | 0.647 |
FU | 0.0851463 |
CYP1A2-inh | 0.96 |
CYP1A2-sub | 0.736 |
CYP2c19-inh | 0.111 |
CYP2c19-sub | 0.049 |
CYP2c9-inh | 0.657 |
CYP2c9-sub | 0.827 |
CYP2d6-inh | 0.585 |
CYP2d6-sub | 0.304 |
CYP3a4-inh | 0.52 |
CYP3a4-sub | 0.086 |
CL | 6.991 |
T12 | 0.922 |
hERG | 0.061 |
Ames | 0.596 |
ROA | 0.074 |
SkinSen | 0.774 |
Carcinogencity | 0.047 |
EI | 0.919 |
Respiratory | 0.121 |
NR-Aromatase | 0.903 |
Antiviral | Yes |
Prediction | 0.788293 |