Chemoinformaics analysis of Woodorien
Molecular Weight | 330.289 | nRot | 4 |
Heavy Atom Molecular Weight | 312.145 | nRig | 13 |
Exact Molecular Weight | 330.095 | nRing | 2 |
Solubility: LogS | -1.491 | nHRing | 1 |
Solubility: LogP | -0.312 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 41 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 1 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 14 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 9 | No. of Arom Bond | 6 |
nHA | 9 | APOL | 42.6003 |
nHD | 5 | BPOL | 24.1337 |
QED | 0.41 |
Synth | 3.457 |
Natural Product Likeliness | 1.771 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.005 |
Pgp-sub | 0.034 |
HIA | 0.818 |
CACO-2 | -6.148 |
MDCK | 0.0000618 |
BBB | 0.583 |
PPB | 0.484674 |
VDSS | 0.377 |
FU | 0.346772 |
CYP1A2-inh | 0.105 |
CYP1A2-sub | 0.076 |
CYP2c19-inh | 0.019 |
CYP2c19-sub | 0.189 |
CYP2c9-inh | 0.002 |
CYP2c9-sub | 0.308 |
CYP2d6-inh | 0.011 |
CYP2d6-sub | 0.189 |
CYP3a4-inh | 0.009 |
CYP3a4-sub | 0.034 |
CL | 4.95 |
T12 | 0.926 |
hERG | 0.107 |
Ames | 0.165 |
ROA | 0.005 |
SkinSen | 0.079 |
Carcinogencity | 0.031 |
EI | 0.154 |
Respiratory | 0.023 |
NR-Aromatase | 0.016 |
Antiviral | Yes |
Prediction | 0.578723 |