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

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Chemoinformaics analysis of  D-Arabinose


Physiochemical Properties
Molecular Weight 230.109 nRot 6
Heavy Atom Molecular Weight 219.021 nRig 3
Exact Molecular Weight 230.019 nRing 0
Solubility: LogS 0.002 nHRing 0
Solubility: LogP -2.681 No. of Aliphatic Rings 0
Acid Count 2 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 25 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 14 No. of Aromatic Carbocycles 0
nHetero 9 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 11 No. of Saturated Hetero Cycles 0
No. of Carbon atom 5 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 8 No. of Arom Bond 0
nHA 6 APOL 25.7307
nHD 5 BPOL 22.3473
Medicinal Chemistry Properties
QED 0.368
Synth 5.236
Natural Product Likeliness 0.797
NR-PPAR-gamma 0.001
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.004
Pgp-sub 0.039
HIA 0.186
CACO-2 -5.813
Distribution
MDCK 0.00368403
BBB 0.565
PPB 0.0843832
VDSS 0.335
Metabolism
FU 0.849696
CYP1A2-inh 0.002
CYP1A2-sub 0.034
CYP2c19-inh 0.022
CYP2c19-sub 0.041
CYP2c9-inh 0.004
CYP2c9-sub 0.216
CYP2d6-inh 0.007
CYP2d6-sub 0.113
CYP3a4-inh 0.004
CYP3a4-sub 0.007
Excretion
CL 1.324
T12 0.917
Toxicity
hERG 0.022
Ames 0.042
ROA 0.005
SkinSen 0.238
Carcinogencity 0.026
EI 0.164
Respiratory 0.187
NR-Aromatase 0.001
Antiviral Prediction
Antiviral No
Prediction 0.867488
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A database of all the medicinal plants having PAN India presence.
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