Chemoinformaics analysis of  Destigloylanopterine
Molecular Weight | 459.583 | nRot | 2 |
Heavy Atom Molecular Weight | 422.287 | nRig | 27 |
Exact Molecular Weight | 459.262 | nRing | 6 |
Solubility: LogS | -2.926 | nHRing | 1 |
Solubility: LogP | 1.096 | No. of Aliphatic Rings | 6 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 5 |
Atoms Count | 70 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 33 | No. of Aromatic Carbocycles | 0 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 6 | No. Saturated Carbocycles | 5 |
No. of Hydrogen atom | 37 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 26 | No. of Saturated Rings | 6 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 6 | No. of Arom Bond | 0 |
nHA | 7 | APOL | 74.0033 |
nHD | 4 | BPOL | 41.4327 |
QED | 0.277 |
Synth | 7.708 |
Natural Product Likeliness | 3.518 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.379 |
HIA | 0.956 |
CACO-2 | -5.668 |
MDCK | 0.000188725 |
BBB | 0.363 |
PPB | 0.320336 |
VDSS | 0.923 |
FU | 0.541907 |
CYP1A2-inh | 0.009 |
CYP1A2-sub | 0.284 |
CYP2c19-inh | 0.01 |
CYP2c19-sub | 0.877 |
CYP2c9-inh | 0.008 |
CYP2c9-sub | 0.063 |
CYP2d6-inh | 0.049 |
CYP2d6-sub | 0.278 |
CYP3a4-inh | 0.184 |
CYP3a4-sub | 0.541 |
CL | 3.836 |
T12 | 0.06 |
hERG | 0.025 |
Ames | 0.015 |
ROA | 0.99 |
SkinSen | 0.036 |
Carcinogencity | 0.117 |
EI | 0.005 |
Respiratory | 0.955 |
NR-Aromatase | 0.021 |
Antiviral | Yes |
Prediction | 0.816101 |