Chemoinformaics analysis of INDICAXANTHIN
Molecular Weight | 308.29 | nRot | 4 |
Heavy Atom Molecular Weight | 292.162 | nRig | 16 |
Exact Molecular Weight | 308.101 | nRing | 2 |
Solubility: LogS | -0.691 | nHRing | 2 |
Solubility: LogP | -2.769 | No. of Aliphatic Rings | 2 |
Acid Count | 3 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 38 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 0 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 14 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 6 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 41.0607 |
nHD | 3 | BPOL | 21.8033 |
QED | 0.62 |
Synth | 5.228 |
Natural Product Likeliness | 1.061 |
NR-PPAR-gamma | 0.016 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.017 |
HIA | 0.963 |
CACO-2 | -6.16 |
MDCK | 0.000101298 |
BBB | 0.194 |
PPB | 0.0786198 |
VDSS | 0.475 |
FU | 0.830363 |
CYP1A2-inh | 0.004 |
CYP1A2-sub | 0.024 |
CYP2c19-inh | 0.014 |
CYP2c19-sub | 0.042 |
CYP2c9-inh | 0.112 |
CYP2c9-sub | 0.072 |
CYP2d6-inh | 0.022 |
CYP2d6-sub | 0.101 |
CYP3a4-inh | 0.01 |
CYP3a4-sub | 0.005 |
CL | 2.088 |
T12 | 0.701 |
hERG | 0.003 |
Ames | 0.015 |
ROA | 0.016 |
SkinSen | 0.946 |
Carcinogencity | 0.089 |
EI | 0.81 |
Respiratory | 0.969 |
NR-Aromatase | 0.004 |
Antiviral | Yes |
Prediction | 0.738342 |