Chemoinformaics analysis of RYANODINE
Molecular Weight | 493.553 | nRot | 3 |
Heavy Atom Molecular Weight | 458.273 | nRig | 25 |
Exact Molecular Weight | 493.231 | nRing | 7 |
Solubility: LogS | -3.172 | nHRing | 3 |
Solubility: LogP | 1.778 | No. of Aliphatic Rings | 6 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 70 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 35 | No. of Aromatic Carbocycles | 0 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 6 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 35 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 25 | No. of Saturated Rings | 6 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 5 |
No. of Oxygen atom | 9 | No. of Arom Bond | 5 |
nHA | 9 | APOL | 73.4058 |
nHD | 7 | BPOL | 40.0222 |
QED | 0.282 |
Synth | 7.232 |
Natural Product Likeliness | 2.509 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.093 |
Pgp-sub | 0.829 |
HIA | 0.847 |
CACO-2 | -5.881 |
MDCK | 0.0000152 |
BBB | 0.905 |
PPB | 0.476213 |
VDSS | 0.755 |
FU | 0.325348 |
CYP1A2-inh | 0.006 |
CYP1A2-sub | 0.99 |
CYP2c19-inh | 0.031 |
CYP2c19-sub | 0.561 |
CYP2c9-inh | 0.093 |
CYP2c9-sub | 0.037 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.101 |
CYP3a4-inh | 0.031 |
CYP3a4-sub | 0.456 |
CL | 1.993 |
T12 | 0.003 |
hERG | 0.059 |
Ames | 0.84 |
ROA | 0.818 |
SkinSen | 0.885 |
Carcinogencity | 0.781 |
EI | 0.01 |
Respiratory | 0.975 |
NR-Aromatase | 0.989 |
Antiviral | Yes |
Prediction | 0.813276 |