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

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Chemoinformaics analysis of TANAKINE


Physiochemical Properties
Molecular Weight 219.284 nRot 3
Heavy Atom Molecular Weight 202.148 nRig 10
Exact Molecular Weight 219.126 nRing 2
Solubility: LogS -2.001 nHRing 1
Solubility: LogP 1.736 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 33 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 16 No. of Aromatic Carbocycles 1
nHetero 3 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 17 No. of Saturated Hetero Cycles 0
No. of Carbon atom 13 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 9
No. of Oxygen atom 2 No. of Arom Bond 10
nHA 2 APOL 35.7495
nHD 3 BPOL 17.6245
Medicinal Chemistry Properties
QED 0.737
Synth 2.632
Natural Product Likeliness 0.996
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.202
HIA 0.011
CACO-2 -4.451
Distribution
MDCK 0.000017
BBB 0.914
PPB 0.610145
VDSS 0.715
Metabolism
FU 0.347847
CYP1A2-inh 0.358
CYP1A2-sub 0.513
CYP2c19-inh 0.128
CYP2c19-sub 0.663
CYP2c9-inh 0.036
CYP2c9-sub 0.919
CYP2d6-inh 0.212
CYP2d6-sub 0.754
CYP3a4-inh 0.038
CYP3a4-sub 0.324
Excretion
CL 9.013
T12 0.807
Toxicity
hERG 0.028
Ames 0.028
ROA 0.638
SkinSen 0.191
Carcinogencity 0.074
EI 0.837
Respiratory 0.108
NR-Aromatase 0.829
Antiviral Prediction
Antiviral No
Prediction 0.629349
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A database of all the medicinal plants having PAN India presence.
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