Chemoinformaics analysis of PROSTEPHANABERRINE
Molecular Weight | 343.379 | nRot | 1 |
Heavy Atom Molecular Weight | 322.211 | nRig | 25 |
Exact Molecular Weight | 343.142 | nRing | 5 |
Solubility: LogS | -2.515 | nHRing | 2 |
Solubility: LogP | 1.09 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 46 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 1 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 21 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 19 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 5 | No. of Arom Bond | 6 |
nHA | 6 | APOL | 50.8427 |
nHD | 1 | BPOL | 28.8533 |
QED | 0.837 |
Synth | 4.416 |
Natural Product Likeliness | 2.444 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.076 |
Pgp-sub | 0.093 |
HIA | 0.004 |
CACO-2 | -4.798 |
MDCK | 0.0000223 |
BBB | 0.988 |
PPB | 0.493081 |
VDSS | 2.936 |
FU | 0.481237 |
CYP1A2-inh | 0.178 |
CYP1A2-sub | 0.878 |
CYP2c19-inh | 0.321 |
CYP2c19-sub | 0.939 |
CYP2c9-inh | 0.075 |
CYP2c9-sub | 0.574 |
CYP2d6-inh | 0.836 |
CYP2d6-sub | 0.613 |
CYP3a4-inh | 0.86 |
CYP3a4-sub | 0.943 |
CL | 7.661 |
T12 | 0.238 |
hERG | 0.109 |
Ames | 0.141 |
ROA | 0.159 |
SkinSen | 0.033 |
Carcinogencity | 0.786 |
EI | 0.009 |
Respiratory | 0.715 |
NR-Aromatase | 0.321 |
Antiviral | Yes |
Prediction | 0.655182 |