Chemoinformaics analysis of HYALURONIC ACID
Molecular Weight | 776.651 | nRot | 12 |
Heavy Atom Molecular Weight | 732.299 | nRig | 28 |
Exact Molecular Weight | 776.233 | nRing | 4 |
Solubility: LogS | 0.556 | nHRing | 4 |
Solubility: LogP | -4.849 | No. of Aliphatic Rings | 4 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 97 | No. of Aliphatic Hetero Cycles | 4 |
No. of Heavy Atom | 53 | No. of Aromatic Carbocycles | 0 |
nHetero | 25 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 44 | No. of Saturated Hetero Cycles | 4 |
No. of Carbon atom | 28 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 23 | No. of Arom Bond | 0 |
nHA | 21 | APOL | 96.7449 |
nHD | 14 | BPOL | 60.9051 |
QED | 0.087 |
Synth | 5.62 |
Natural Product Likeliness | 1.107 |
NR-PPAR-gamma | 0.019 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.991 |
HIA | 1 |
CACO-2 | -7.018 |
MDCK | 0.00128139 |
BBB | 0.417 |
PPB | -0.0152769 |
VDSS | 0.212 |
FU | 0.769257 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0.001 |
CYP2c19-inh | 0.004 |
CYP2c19-sub | 0.023 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.047 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.025 |
CYP3a4-inh | 0.007 |
CYP3a4-sub | 0 |
CL | 0.083 |
T12 | 0.776 |
hERG | 0.003 |
Ames | 0.041 |
ROA | 0.075 |
SkinSen | 0.001 |
Carcinogencity | 0.001 |
EI | 0.001 |
Respiratory | 0 |
NR-Aromatase | 0.003 |
Antiviral | Yes |
Prediction | 0.743083 |