Chemoinformaics analysis of RANUNCULIN
Molecular Weight | 276.241 | nRot | 4 |
Heavy Atom Molecular Weight | 260.113 | nRig | 11 |
Exact Molecular Weight | 276.085 | nRing | 2 |
Solubility: LogS | -0.489 | nHRing | 2 |
Solubility: LogP | -1.85 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 35 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 0 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 11 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 8 | No. of Arom Bond | 0 |
nHA | 8 | APOL | 35.4547 |
nHD | 4 | BPOL | 22.1273 |
QED | 0.439 |
Synth | 4.036 |
Natural Product Likeliness | 1.849 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.036 |
HIA | 0.872 |
CACO-2 | -5.677 |
MDCK | 0.00108112 |
BBB | 0.614 |
PPB | 0.259312 |
VDSS | 0.389 |
FU | 0.683534 |
CYP1A2-inh | 0.01 |
CYP1A2-sub | 0.054 |
CYP2c19-inh | 0.012 |
CYP2c19-sub | 0.061 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.244 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.253 |
CYP3a4-inh | 0.008 |
CYP3a4-sub | 0.017 |
CL | 1.521 |
T12 | 0.738 |
hERG | 0.042 |
Ames | 0.623 |
ROA | 0.403 |
SkinSen | 0.029 |
Carcinogencity | 0.732 |
EI | 0.012 |
Respiratory | 0.035 |
NR-Aromatase | 0.005 |
Antiviral | Yes |
Prediction | 0.671065 |