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

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Chemoinformaics analysis of Karanjin


Physiochemical Properties
Molecular Weight 292.29 nRot 2
Heavy Atom Molecular Weight 280.194 nRig 22
Exact Molecular Weight 292.074 nRing 4
Solubility: LogS -5.007 nHRing 2
Solubility: LogP 3.992 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 4
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 34 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 22 No. of Aromatic Carbocycles 2
nHetero 4 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 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 19
No. of Oxygen atom 4 No. of Arom Bond 21
nHA 4 APOL 41.2695
nHD 0 BPOL 18.1145
Medicinal Chemistry Properties
QED 0.555
Synth 2.271
Natural Product Likeliness 0.839
NR-PPAR-gamma 0.569
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.996
Pgp-sub 0.001
HIA 0.005
CACO-2 -4.73
Distribution
MDCK 0.0000263
BBB 0.014
PPB 0.931859
VDSS 0.607
Metabolism
FU 0.0633516
CYP1A2-inh 0.973
CYP1A2-sub 0.72
CYP2c19-inh 0.882
CYP2c19-sub 0.085
CYP2c9-inh 0.761
CYP2c9-sub 0.882
CYP2d6-inh 0.332
CYP2d6-sub 0.64
CYP3a4-inh 0.577
CYP3a4-sub 0.187
Excretion
CL 3.623
T12 0.238
Toxicity
hERG 0.012
Ames 0.435
ROA 0.482
SkinSen 0.088
Carcinogencity 0.835
EI 0.531
Respiratory 0.74
NR-Aromatase 0.904
Antiviral Prediction
Antiviral Yes
Prediction 0.540724
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A database of all the medicinal plants having PAN India presence.
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