Chemoinformaics analysis of rhodonin
Molecular Weight | 207.058 | nRot | 3 |
Heavy Atom Molecular Weight | 198.994 | nRig | 4 |
Exact Molecular Weight | 206.968 | nRing | 0 |
Solubility: LogS | -2.334 | nHRing | 0 |
Solubility: LogP | 2.165 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 17 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 9 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 8 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 8 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 0 | No. of Arom Bond | 0 |
nHA | 0 | APOL | 27.2943 |
nHD | 0 | BPOL | 8.02566 |
QED | 0.38 |
Synth | 5.995 |
Natural Product Likeliness | 0.498 |
NR-PPAR-gamma | 0.001 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.002 |
HIA | 0.012 |
CACO-2 | -4.094 |
MDCK | 0.0000305 |
BBB | 0.432 |
PPB | 0.832797 |
VDSS | 2.066 |
FU | 0.11969 |
CYP1A2-inh | 0.394 |
CYP1A2-sub | 0.113 |
CYP2c19-inh | 0.104 |
CYP2c19-sub | 0.376 |
CYP2c9-inh | 0.061 |
CYP2c9-sub | 0.06 |
CYP2d6-inh | 0.015 |
CYP2d6-sub | 0.129 |
CYP3a4-inh | 0.045 |
CYP3a4-sub | 0.203 |
CL | 11.32 |
T12 | 0.726 |
hERG | 0.062 |
Ames | 0.917 |
ROA | 0.97 |
SkinSen | 0.967 |
Carcinogencity | 0.408 |
EI | 0.989 |
Respiratory | 0.972 |
NR-Aromatase | 0.001 |
Antiviral | No |
Prediction | 0.884262 |