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

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Chemoinformaics analysis of ANDROGRAPHISIDE


Physiochemical Properties
Molecular Weight 512.596 nRot 6
Heavy Atom Molecular Weight 472.276 nRig 25
Exact Molecular Weight 512.262 nRing 4
Solubility: LogS -2.019 nHRing 2
Solubility: LogP -0.132 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 2
Atoms Count 76 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 36 No. of Aromatic Carbocycles 0
nHetero 10 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 2
No. of Hydrogen atom 40 No. of Saturated Hetero Cycles 2
No. of Carbon atom 26 No. of Saturated Rings 4
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 10 No. of Arom Bond 0
nHA 10 APOL 78.1117
nHD 6 BPOL 46.2043
Medicinal Chemistry Properties
QED 0.204
Synth 5.374
Natural Product Likeliness 2.832
NR-PPAR-gamma 0.025
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.104
HIA 0.947
CACO-2 -5.553
Distribution
MDCK 0.000588921
BBB 0.314
PPB 0.197175
VDSS 0.359
Metabolism
FU 0.632603
CYP1A2-inh 0.002
CYP1A2-sub 0.088
CYP2c19-inh 0.002
CYP2c19-sub 0.161
CYP2c9-inh 0.001
CYP2c9-sub 0.074
CYP2d6-inh 0.001
CYP2d6-sub 0.124
CYP3a4-inh 0.023
CYP3a4-sub 0.048
Excretion
CL 1.559
T12 0.205
Toxicity
hERG 0.005
Ames 0.337
ROA 0.091
SkinSen 0.01
Carcinogencity 0.028
EI 0.004
Respiratory 0.093
NR-Aromatase 0.037
Antiviral Prediction
Antiviral Yes
Prediction 0.806682
OSADHI

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

Our Other Tools

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  • Aromatic–Aromatic Interactions Database (A2ID)
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