Chemoinformaics analysis of Skullcapflavone II
Molecular Weight | 374.345 | nRot | 5 |
Heavy Atom Molecular Weight | 356.201 | nRig | 18 |
Exact Molecular Weight | 374.1 | nRing | 3 |
Solubility: LogS | -3.758 | nHRing | 1 |
Solubility: LogP | 2.801 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 45 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 2 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 19 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 8 | No. of Arom Bond | 17 |
nHA | 8 | APOL | 50.1483 |
nHD | 2 | BPOL | 27.6057 |
QED | 0.702 |
Synth | 2.669 |
Natural Product Likeliness | 1.394 |
NR-PPAR-gamma | 0.783 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.994 |
Pgp-sub | 0.001 |
HIA | 0.037 |
CACO-2 | -4.792 |
MDCK | 0.0000223 |
BBB | 0.008 |
PPB | 0.800742 |
VDSS | 0.804 |
FU | 0.242585 |
CYP1A2-inh | 0.574 |
CYP1A2-sub | 0.977 |
CYP2c19-inh | 0.258 |
CYP2c19-sub | 0.684 |
CYP2c9-inh | 0.753 |
CYP2c9-sub | 0.845 |
CYP2d6-inh | 0.033 |
CYP2d6-sub | 0.766 |
CYP3a4-inh | 0.406 |
CYP3a4-sub | 0.54 |
CL | 2.683 |
T12 | 0.395 |
hERG | 0.381 |
Ames | 0.457 |
ROA | 0.446 |
SkinSen | 0.109 |
Carcinogencity | 0.042 |
EI | 0.397 |
Respiratory | 0.072 |
NR-Aromatase | 0.885 |
Antiviral | Yes |
Prediction | 0.916334 |