Chemoinformaics analysis of Strictosidine
Molecular Weight | 530.574 | nRot | 7 |
Heavy Atom Molecular Weight | 496.302 | nRig | 29 |
Exact Molecular Weight | 530.226 | nRing | 5 |
Solubility: LogS | -2.029 | nHRing | 4 |
Solubility: LogP | 0.042 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 72 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 38 | No. of Aromatic Carbocycles | 1 |
nHetero | 11 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 34 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 27 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 9 |
No. of Oxygen atom | 9 | No. of Arom Bond | 10 |
nHA | 10 | APOL | 77.179 |
nHD | 6 | BPOL | 43.061 |
QED | 0.218 |
Synth | 4.854 |
Natural Product Likeliness | 2.186 |
NR-PPAR-gamma | 0.006 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.077 |
HIA | 0.918 |
CACO-2 | -5.74 |
MDCK | 0.0000173 |
BBB | 0.729 |
PPB | 0.40941 |
VDSS | 0.796 |
FU | 0.60644 |
CYP1A2-inh | 0.016 |
CYP1A2-sub | 0.097 |
CYP2c19-inh | 0.017 |
CYP2c19-sub | 0.24 |
CYP2c9-inh | 0.002 |
CYP2c9-sub | 0.31 |
CYP2d6-inh | 0.012 |
CYP2d6-sub | 0.358 |
CYP3a4-inh | 0.186 |
CYP3a4-sub | 0.483 |
CL | 1.393 |
T12 | 0.264 |
hERG | 0.606 |
Ames | 0.544 |
ROA | 0.924 |
SkinSen | 0.036 |
Carcinogencity | 0.913 |
EI | 0.005 |
Respiratory | 0.954 |
NR-Aromatase | 0.011 |
Antiviral | Yes |
Prediction | 0.863091 |