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

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Chemoinformaics analysis of Kanjone


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 -6.044 nHRing 2
Solubility: LogP 4.102 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 2.352
Natural Product Likeliness 0.94
NR-PPAR-gamma 0.461
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.958
Pgp-sub 0.027
HIA 0.008
CACO-2 -4.744
Distribution
MDCK 0.0000294
BBB 0.014
PPB 0.899005
VDSS 0.642
Metabolism
FU 0.0849513
CYP1A2-inh 0.972
CYP1A2-sub 0.728
CYP2c19-inh 0.885
CYP2c19-sub 0.086
CYP2c9-inh 0.822
CYP2c9-sub 0.881
CYP2d6-inh 0.357
CYP2d6-sub 0.825
CYP3a4-inh 0.672
CYP3a4-sub 0.17
Excretion
CL 6.4
T12 0.294
Toxicity
hERG 0.014
Ames 0.314
ROA 0.66
SkinSen 0.115
Carcinogencity 0.858
EI 0.139
Respiratory 0.938
NR-Aromatase 0.897
Antiviral Prediction
Antiviral Yes
Prediction 0.554712
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A database of all the medicinal plants having PAN India presence.
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