Chemoinformaics analysis of Furomammea G
Molecular Weight | 388.46 | nRot | 6 |
Heavy Atom Molecular Weight | 360.236 | nRig | 17 |
Exact Molecular Weight | 388.189 | nRing | 3 |
Solubility: LogS | -3.655 | nHRing | 2 |
Solubility: LogP | 4.839 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 56 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 28 | No. of Aromatic Carbocycles | 1 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 28 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 22 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 10 |
No. of Oxygen atom | 6 | No. of Arom Bond | 11 |
nHA | 6 | APOL | 60.2222 |
nHD | 2 | BPOL | 33.2978 |
QED | 0.578 |
Synth | 3.663 |
Natural Product Likeliness | 1.985 |
NR-PPAR-gamma | 0.742 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.349 |
Pgp-sub | 0.001 |
HIA | 0.019 |
CACO-2 | -4.661 |
MDCK | 0.0000151 |
BBB | 0.046 |
PPB | 0.963853 |
VDSS | 0.786 |
FU | 0.0292754 |
CYP1A2-inh | 0.182 |
CYP1A2-sub | 0.519 |
CYP2c19-inh | 0.44 |
CYP2c19-sub | 0.357 |
CYP2c9-inh | 0.666 |
CYP2c9-sub | 0.913 |
CYP2d6-inh | 0.162 |
CYP2d6-sub | 0.257 |
CYP3a4-inh | 0.174 |
CYP3a4-sub | 0.146 |
CL | 6.468 |
T12 | 0.367 |
hERG | 0.006 |
Ames | 0.135 |
ROA | 0.766 |
SkinSen | 0.35 |
Carcinogencity | 0.479 |
EI | 0.021 |
Respiratory | 0.068 |
NR-Aromatase | 0.75 |
Antiviral | Yes |
Prediction | 0.68214 |