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

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Chemoinformaics analysis of kinetin


Physiochemical Properties
Molecular Weight 215.216 nRot 3
Heavy Atom Molecular Weight 206.144 nRig 16
Exact Molecular Weight 215.081 nRing 3
Solubility: LogS -2.424 nHRing 3
Solubility: LogP 0.891 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 25 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 16 No. of Aromatic Carbocycles 0
nHetero 6 No. of Aromatic Hetero Cycles 3
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 9 No. of Saturated Hetero Cycles 0
No. of Carbon atom 10 No. of Saturated Rings 0
No. of Nitrogen atom 5 No. of Arom Atom 14
No. of Oxygen atom 1 No. of Arom Bond 15
nHA 5 APOL 29.0031
nHD 2 BPOL 15.3249
Medicinal Chemistry Properties
QED 0.668
Synth 3.447
Natural Product Likeliness -0.448
NR-PPAR-gamma 0.059
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.996
HIA 0.016
CACO-2 -4.987
Distribution
MDCK 0.00000456
BBB 0.366
PPB 0.584165
VDSS 1.856
Metabolism
FU 0.577284
CYP1A2-inh 0.801
CYP1A2-sub 0.194
CYP2c19-inh 0.456
CYP2c19-sub 0.059
CYP2c9-inh 0.068
CYP2c9-sub 0.421
CYP2d6-inh 0.772
CYP2d6-sub 0.03
CYP3a4-inh 0.286
CYP3a4-sub 0.487
Excretion
CL 11.802
T12 0.929
Toxicity
hERG 0.057
Ames 0.019
ROA 0.972
SkinSen 0.859
Carcinogencity 0.014
EI 0.248
Respiratory 0.979
NR-Aromatase 0.895
Antiviral Prediction
Antiviral No
Prediction 0.774304
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A database of all the medicinal plants having PAN India presence.
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