Chemoinformaics analysis of PINOSTROBIN CHALCONE
Molecular Weight | 270.284 | nRot | 4 |
Heavy Atom Molecular Weight | 256.172 | nRig | 14 |
Exact Molecular Weight | 270.089 | nRing | 2 |
Solubility: LogS | -3.745 | nHRing | 0 |
Solubility: LogP | 3.838 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 34 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 4 | No. of Arom Bond | 12 |
nHA | 4 | APOL | 39.2631 |
nHD | 2 | BPOL | 16.6489 |
QED | 0.662 |
Synth | 2.116 |
Natural Product Likeliness | 0.561 |
NR-PPAR-gamma | 0.878 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.005 |
Pgp-sub | 0.002 |
HIA | 0.008 |
CACO-2 | -4.924 |
MDCK | 0.0000146 |
BBB | 0.29 |
PPB | 1.00573 |
VDSS | 0.519 |
FU | 0.00673394 |
CYP1A2-inh | 0.984 |
CYP1A2-sub | 0.791 |
CYP2c19-inh | 0.823 |
CYP2c19-sub | 0.086 |
CYP2c9-inh | 0.802 |
CYP2c9-sub | 0.928 |
CYP2d6-inh | 0.851 |
CYP2d6-sub | 0.879 |
CYP3a4-inh | 0.801 |
CYP3a4-sub | 0.173 |
CL | 9.716 |
T12 | 0.696 |
hERG | 0.088 |
Ames | 0.843 |
ROA | 0.663 |
SkinSen | 0.938 |
Carcinogencity | 0.539 |
EI | 0.976 |
Respiratory | 0.712 |
NR-Aromatase | 0.657 |
Antiviral | No |
Prediction | 0.702828 |