Chemoinformaics analysis of Erythrinin A
Molecular Weight | 320.344 | nRot | 1 |
Heavy Atom Molecular Weight | 304.216 | nRig | 23 |
Exact Molecular Weight | 320.105 | nRing | 4 |
Solubility: LogS | -3.365 | nHRing | 2 |
Solubility: LogP | 4.453 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 40 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 20 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 4 | No. of Arom Bond | 17 |
nHA | 4 | APOL | 47.2767 |
nHD | 1 | BPOL | 20.3913 |
QED | 0.724 |
Synth | 2.693 |
Natural Product Likeliness | 1.83 |
NR-PPAR-gamma | 0.563 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.302 |
Pgp-sub | 0.067 |
HIA | 0.005 |
CACO-2 | -4.768 |
MDCK | 0.0000186 |
BBB | 0.031 |
PPB | 0.995196 |
VDSS | 0.519 |
FU | 0.0111985 |
CYP1A2-inh | 0.953 |
CYP1A2-sub | 0.18 |
CYP2c19-inh | 0.946 |
CYP2c19-sub | 0.065 |
CYP2c9-inh | 0.823 |
CYP2c9-sub | 0.933 |
CYP2d6-inh | 0.941 |
CYP2d6-sub | 0.839 |
CYP3a4-inh | 0.827 |
CYP3a4-sub | 0.246 |
CL | 3.402 |
T12 | 0.297 |
hERG | 0.276 |
Ames | 0.022 |
ROA | 0.313 |
SkinSen | 0.44 |
Carcinogencity | 0.818 |
EI | 0.511 |
Respiratory | 0.797 |
NR-Aromatase | 0.843 |
Antiviral | Yes |
Prediction | 0.82239 |