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

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Chemoinformaics analysis of SATIVIC-ACID


Physiochemical Properties
Molecular Weight 348.48 nRot 16
Heavy Atom Molecular Weight 312.192 nRig 1
Exact Molecular Weight 348.251 nRing 0
Solubility: LogS -2.893 nHRing 0
Solubility: LogP 2.261 No. of Aliphatic Rings 0
Acid Count 1 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 60 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 24 No. of Aromatic Carbocycles 0
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 36 No. of Saturated Hetero Cycles 0
No. of Carbon atom 18 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 6 No. of Arom Bond 0
nHA 5 APOL 58.8765
nHD 5 BPOL 36.9835
Medicinal Chemistry Properties
QED 0.273
Synth 3.524
Natural Product Likeliness 0.969
NR-PPAR-gamma 0.871
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.084
Pgp-sub 0.021
HIA 0.924
CACO-2 -5.425
Distribution
MDCK 0.000085
BBB 0.27
PPB 0.908627
VDSS 0.468
Metabolism
FU 0.0577947
CYP1A2-inh 0.071
CYP1A2-sub 0.095
CYP2c19-inh 0.008
CYP2c19-sub 0.061
CYP2c9-inh 0.002
CYP2c9-sub 0.983
CYP2d6-inh 0.002
CYP2d6-sub 0.078
CYP3a4-inh 0.003
CYP3a4-sub 0.007
Excretion
CL 6.836
T12 0.856
Toxicity
hERG 0.071
Ames 0.028
ROA 0.008
SkinSen 0.276
Carcinogencity 0.025
EI 0.043
Respiratory 0.05
NR-Aromatase 0.044
Antiviral Prediction
Antiviral Yes
Prediction 0.810212
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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  • Aromatic–Aromatic Interactions Database (A2ID)
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