Chemoinformaics analysis of Pseudokopsinine
Molecular Weight | 338.451 | nRot | 1 |
Heavy Atom Molecular Weight | 312.243 | nRig | 26 |
Exact Molecular Weight | 338.199 | nRing | 6 |
Solubility: LogS | -4.164 | nHRing | 3 |
Solubility: LogP | 2.657 | No. of Aliphatic Rings | 5 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 51 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 26 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 21 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 6 |
No. of Oxygen atom | 2 | No. of Arom Bond | 6 |
nHA | 4 | APOL | 56.2106 |
nHD | 1 | BPOL | 30.9674 |
QED | 0.8 |
Synth | 6.014 |
Natural Product Likeliness | 1.812 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.045 |
Pgp-sub | 0.703 |
HIA | 0.004 |
CACO-2 | -5.023 |
MDCK | 0.0000408 |
BBB | 0.98 |
PPB | 0.428154 |
VDSS | 1.319 |
FU | 0.623049 |
CYP1A2-inh | 0.077 |
CYP1A2-sub | 0.863 |
CYP2c19-inh | 0.124 |
CYP2c19-sub | 0.913 |
CYP2c9-inh | 0.136 |
CYP2c9-sub | 0.142 |
CYP2d6-inh | 0.874 |
CYP2d6-sub | 0.861 |
CYP3a4-inh | 0.802 |
CYP3a4-sub | 0.684 |
CL | 9.962 |
T12 | 0.105 |
hERG | 0.048 |
Ames | 0.088 |
ROA | 0.808 |
SkinSen | 0.036 |
Carcinogencity | 0.325 |
EI | 0.012 |
Respiratory | 0.794 |
NR-Aromatase | 0.456 |
Antiviral | Yes |
Prediction | 0.666961 |