Chemoinformaics analysis of Anogeissinin
Molecular Weight | 962.643 | nRot | 1 |
Heavy Atom Molecular Weight | 936.435 | nRig | 59 |
Exact Molecular Weight | 962.066 | nRing | 10 |
Solubility: LogS | -5.305 | nHRing | 5 |
Solubility: LogP | 1.524 | No. of Aliphatic Rings | 5 |
Acid Count | 1 | No. of Aromatic Rings | 5 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 95 | No. of Aliphatic Hetero Cycles | 5 |
No. of Heavy Atom | 69 | No. of Aromatic Carbocycles | 5 |
nHetero | 27 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 6 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 26 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 42 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 30 |
No. of Oxygen atom | 27 | No. of Arom Bond | 30 |
nHA | 26 | APOL | 109.131 |
nHD | 16 | BPOL | 39.9714 |
QED | 0.048 |
Synth | 7.175 |
Natural Product Likeliness | 1.104 |
NR-PPAR-gamma | 0.002 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.048 |
Pgp-sub | 0.001 |
HIA | 1 |
CACO-2 | -7.13 |
MDCK | 0.00000248 |
BBB | 0 |
PPB | 0.869648 |
VDSS | 0.259 |
FU | 0.784576 |
CYP1A2-inh | 0.015 |
CYP1A2-sub | 0.005 |
CYP2c19-inh | 0.004 |
CYP2c19-sub | 0.018 |
CYP2c9-inh | 0.26 |
CYP2c9-sub | 0.021 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.05 |
CYP3a4-inh | 0.002 |
CYP3a4-sub | 0.001 |
CL | 2.517 |
T12 | 0.947 |
hERG | 0.011 |
Ames | 0.046 |
ROA | 0 |
SkinSen | 0.935 |
Carcinogencity | 0.004 |
EI | 0.908 |
Respiratory | 0 |
NR-Aromatase | 0.169 |
Antiviral | Yes |
Prediction | 0.662599 |