Chemoinformaics analysis of Muningin
Molecular Weight | 314.293 | nRot | 3 |
Heavy Atom Molecular Weight | 300.181 | nRig | 18 |
Exact Molecular Weight | 314.079 | nRing | 3 |
Solubility: LogS | -3.739 | nHRing | 1 |
Solubility: LogP | 2.531 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 37 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 2 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 17 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 6 | No. of Arom Bond | 17 |
nHA | 6 | APOL | 42.5371 |
nHD | 2 | BPOL | 20.1209 |
QED | 0.772 |
Synth | 2.383 |
Natural Product Likeliness | 1.348 |
NR-PPAR-gamma | 0.954 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.015 |
Pgp-sub | 0.371 |
HIA | 0.011 |
CACO-2 | -4.757 |
MDCK | 0.0000167 |
BBB | 0.017 |
PPB | 0.941547 |
VDSS | 0.511 |
FU | 0.0806737 |
CYP1A2-inh | 0.881 |
CYP1A2-sub | 0.923 |
CYP2c19-inh | 0.761 |
CYP2c19-sub | 0.066 |
CYP2c9-inh | 0.788 |
CYP2c9-sub | 0.9 |
CYP2d6-inh | 0.656 |
CYP2d6-sub | 0.774 |
CYP3a4-inh | 0.553 |
CYP3a4-sub | 0.212 |
CL | 4.582 |
T12 | 0.858 |
hERG | 0.089 |
Ames | 0.074 |
ROA | 0.403 |
SkinSen | 0.778 |
Carcinogencity | 0.193 |
EI | 0.899 |
Respiratory | 0.073 |
NR-Aromatase | 0.828 |
Antiviral | Yes |
Prediction | 0.778101 |