OSADHI - Online Structural and Analytics based Database for Herbs of India

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Chemoinformaics analysis of HYALURONIC ACID


Physiochemical Properties
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
Medicinal Chemistry Properties
QED 0.087
Synth 5.62
Natural Product Likeliness 1.107
NR-PPAR-gamma 0.019
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.991
HIA 1
CACO-2 -7.018
Distribution
MDCK 0.00128139
BBB 0.417
PPB -0.0152769
VDSS 0.212
Metabolism
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
Excretion
CL 0.083
T12 0.776
Toxicity
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 Prediction
Antiviral Yes
Prediction 0.743083
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A database of all the medicinal plants having PAN India presence.
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