Chemoinformaics analysis of Geraniol
Molecular Weight | 154.253 | nRot | 4 |
Heavy Atom Molecular Weight | 136.109 | nRig | 4 |
Exact Molecular Weight | 154.136 | nRing | 0 |
Solubility: LogS | -1.021 | nHRing | 0 |
Solubility: LogP | -2.776 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 29 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 10 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 29.5043 |
nHD | 1 | BPOL | 18.0577 |
QED | 0.36 |
Synth | 3.74 |
Natural Product Likeliness | 0.681 |
NR-PPAR-gamma | 0.048 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.008 |
Pgp-sub | 0.106 |
HIA | 0.043 |
CACO-2 | -6.088 |
MDCK | 0.00190532 |
BBB | 0.328 |
PPB | 0.340707 |
VDSS | 0.395 |
FU | 0.697495 |
CYP1A2-inh | 0.005 |
CYP1A2-sub | 0.027 |
CYP2c19-inh | 0.045 |
CYP2c19-sub | 0.051 |
CYP2c9-inh | 0.036 |
CYP2c9-sub | 0.113 |
CYP2d6-inh | 0.028 |
CYP2d6-sub | 0.145 |
CYP3a4-inh | 0.008 |
CYP3a4-sub | 0.031 |
CL | 8.027 |
T12 | 0.823 |
hERG | 0.022 |
Ames | 0.052 |
ROA | 0.026 |
SkinSen | 0.709 |
Carcinogencity | 0.015 |
EI | 0.076 |
Respiratory | 0.458 |
NR-Aromatase | 0.005 |
Antiviral | No |
Prediction | 0.94198 |