Chemoinformaics analysis of RICININE
Molecular Weight | 164.164 | nRot | 1 |
Heavy Atom Molecular Weight | 156.1 | nRig | 8 |
Exact Molecular Weight | 164.059 | nRing | 1 |
Solubility: LogS | -1.428 | nHRing | 1 |
Solubility: LogP | -0.07 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 20 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 8 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 8 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 6 |
No. of Oxygen atom | 2 | No. of Arom Bond | 6 |
nHA | 4 | APOL | 22.4983 |
nHD | 0 | BPOL | 12.9097 |
QED | 0.598 |
Synth | 2.53 |
Natural Product Likeliness | -0.422 |
NR-PPAR-gamma | 0.07 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.002 |
HIA | 0.03 |
CACO-2 | -4.624 |
MDCK | 0.0000267 |
BBB | 0.959 |
PPB | 0.314858 |
VDSS | 0.847 |
FU | 0.647771 |
CYP1A2-inh | 0.282 |
CYP1A2-sub | 0.942 |
CYP2c19-inh | 0.129 |
CYP2c19-sub | 0.53 |
CYP2c9-inh | 0.063 |
CYP2c9-sub | 0.707 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.492 |
CYP3a4-inh | 0.023 |
CYP3a4-sub | 0.283 |
CL | 6.648 |
T12 | 0.793 |
hERG | 0.007 |
Ames | 0.388 |
ROA | 0.934 |
SkinSen | 0.141 |
Carcinogencity | 0.48 |
EI | 0.9 |
Respiratory | 0.568 |
NR-Aromatase | 0.057 |
Antiviral | No |
Prediction | 0.857006 |