Chemoinformaics analysis of 11-Hydroxynoracronycine
Molecular Weight | 323.348 | nRot | 0 |
Heavy Atom Molecular Weight | 306.212 | nRig | 22 |
Exact Molecular Weight | 323.116 | nRing | 4 |
Solubility: LogS | -3.967 | nHRing | 2 |
Solubility: LogP | 3.875 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 41 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 17 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 19 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 14 |
No. of Oxygen atom | 4 | No. of Arom Bond | 16 |
nHA | 5 | APOL | 47.3735 |
nHD | 2 | BPOL | 21.3685 |
QED | 0.623 |
Synth | 3.019 |
Natural Product Likeliness | 2.259 |
NR-PPAR-gamma | 0.963 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.007 |
Pgp-sub | 0.002 |
HIA | 0.113 |
CACO-2 | -4.745 |
MDCK | 0.0000219 |
BBB | 0.037 |
PPB | 0.985281 |
VDSS | 0.462 |
FU | 0.0134102 |
CYP1A2-inh | 0.962 |
CYP1A2-sub | 0.714 |
CYP2c19-inh | 0.573 |
CYP2c19-sub | 0.146 |
CYP2c9-inh | 0.808 |
CYP2c9-sub | 0.921 |
CYP2d6-inh | 0.835 |
CYP2d6-sub | 0.537 |
CYP3a4-inh | 0.559 |
CYP3a4-sub | 0.151 |
CL | 2.402 |
T12 | 0.255 |
hERG | 0.021 |
Ames | 0.85 |
ROA | 0.771 |
SkinSen | 0.565 |
Carcinogencity | 0.924 |
EI | 0.929 |
Respiratory | 0.786 |
NR-Aromatase | 0.788 |
Antiviral | Yes |
Prediction | 0.686501 |