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

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Chemoinformaics analysis of Fukinolic-Acid


Physiochemical Properties
Molecular Weight 434.353 nRot 8
Heavy Atom Molecular Weight 416.209 nRig 16
Exact Molecular Weight 434.085 nRing 2
Solubility: LogS -2.169 nHRing 0
Solubility: LogP 1.25 No. of Aliphatic Rings 0
Acid Count 2 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 49 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 31 No. of Aromatic Carbocycles 2
nHetero 11 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 18 No. of Saturated Hetero Cycles 0
No. of Carbon atom 20 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 11 No. of Arom Bond 12
nHA 9 APOL 54.2243
nHD 7 BPOL 22.3977
Medicinal Chemistry Properties
QED 0.174
Synth 3.613
Natural Product Likeliness 1.268
NR-PPAR-gamma 0.48
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.014
HIA 0.227
CACO-2 -6.297
Distribution
MDCK 0.0000231
BBB 0.047
PPB 0.960864
VDSS 0.371
Metabolism
FU 0.0389075
CYP1A2-inh 0.056
CYP1A2-sub 0.027
CYP2c19-inh 0.04
CYP2c19-sub 0.034
CYP2c9-inh 0.376
CYP2c9-sub 0.362
CYP2d6-inh 0.007
CYP2d6-sub 0.137
CYP3a4-inh 0.077
CYP3a4-sub 0.011
Excretion
CL 4.589
T12 0.965
Toxicity
hERG 0.006
Ames 0.048
ROA 0.081
SkinSen 0.915
Carcinogencity 0.058
EI 0.556
Respiratory 0.03
NR-Aromatase 0.049
Antiviral Prediction
Antiviral Yes
Prediction 0.776767
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A database of all the medicinal plants having PAN India presence.
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