Chemoinformaics analysis of Woodfordin D
Molecular Weight | 2505.74 | nRot | 16 |
Heavy Atom Molecular Weight | 2429.13 | nRig | 137 |
Exact Molecular Weight | 2504.24 | nRing | 19 |
Solubility: LogS | -1.187 | nHRing | 6 |
Solubility: LogP | 2.204 | No. of Aliphatic Rings | 6 |
Acid Count | 0 | No. of Aromatic Rings | 13 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 255 | No. of Aliphatic Hetero Cycles | 6 |
No. of Heavy Atom | 179 | No. of Aromatic Carbocycles | 13 |
nHetero | 70 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 8 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 76 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 109 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 78 |
No. of Oxygen atom | 70 | No. of Arom Bond | 78 |
nHA | 70 | APOL | 288.846 |
nHD | 38 | BPOL | 118.776 |
QED | 0.028 |
Synth | 9.373 |
Natural Product Likeliness | 0.737 |
NR-PPAR-gamma | 0 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.047 |
Pgp-sub | 0 |
HIA | 1 |
CACO-2 | -8.437 |
MDCK | 0.00000221 |
BBB | 0 |
PPB | 0.983156 |
VDSS | -0.742 |
FU | 21.9219 |
CYP1A2-inh | 0.001 |
CYP1A2-sub | 0 |
CYP2c19-inh | 0 |
CYP2c19-sub | 0.001 |
CYP2c9-inh | 0.021 |
CYP2c9-sub | 0 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.004 |
CYP3a4-inh | 0 |
CYP3a4-sub | 0 |
CL | 10.005 |
T12 | 0.998 |
hERG | 0 |
Ames | 0.004 |
ROA | 0 |
SkinSen | 0.985 |
Carcinogencity | 0 |
EI | 0.985 |
Respiratory | 0 |
NR-Aromatase | 0.007 |
Antiviral | Yes |
Prediction | 0.755468 |