Chemoinformaics analysis of Plicatin A
Molecular Weight | 262.305 | nRot | 5 |
Heavy Atom Molecular Weight | 244.161 | nRig | 9 |
Exact Molecular Weight | 262.121 | nRing | 1 |
Solubility: LogS | -2.366 | nHRing | 0 |
Solubility: LogP | 2.616 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 37 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 4 | No. of Arom Bond | 6 |
nHA | 4 | APOL | 40.2603 |
nHD | 2 | BPOL | 20.6617 |
QED | 0.484 |
Synth | 3.023 |
Natural Product Likeliness | 1.912 |
NR-PPAR-gamma | 0.676 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.005 |
Pgp-sub | 0.342 |
HIA | 0.046 |
CACO-2 | -4.688 |
MDCK | 0.0000215 |
BBB | 0.823 |
PPB | 0.777317 |
VDSS | 0.813 |
FU | 0.137508 |
CYP1A2-inh | 0.769 |
CYP1A2-sub | 0.69 |
CYP2c19-inh | 0.321 |
CYP2c19-sub | 0.352 |
CYP2c9-inh | 0.36 |
CYP2c9-sub | 0.902 |
CYP2d6-inh | 0.076 |
CYP2d6-sub | 0.823 |
CYP3a4-inh | 0.029 |
CYP3a4-sub | 0.292 |
CL | 10.49 |
T12 | 0.87 |
hERG | 0.062 |
Ames | 0.142 |
ROA | 0.826 |
SkinSen | 0.873 |
Carcinogencity | 0.182 |
EI | 0.155 |
Respiratory | 0.857 |
NR-Aromatase | 0.649 |
Antiviral | Yes |
Prediction | 0.683396 |