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

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Chemoinformaics analysis of CANNOGENIN


Physiochemical Properties
Molecular Weight 388.504 nRot 2
Heavy Atom Molecular Weight 356.248 nRig 26
Exact Molecular Weight 388.225 nRing 5
Solubility: LogS -4.244 nHRing 1
Solubility: LogP 2.137 No. of Aliphatic Rings 5
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 60 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 28 No. of Aromatic Carbocycles 0
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 4
No. of Hydrogen atom 32 No. of Saturated Hetero Cycles 0
No. of Carbon atom 23 No. of Saturated Rings 4
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 5 No. of Arom Bond 0
nHA 5 APOL 63.7574
nHD 2 BPOL 35.5746
Medicinal Chemistry Properties
QED 0.671
Synth 4.916
Natural Product Likeliness 2.863
NR-PPAR-gamma 0.924
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.011
Pgp-sub 0.056
HIA 0.226
CACO-2 -5.057
Distribution
MDCK 0.0000189
BBB 0.99
PPB 0.77093
VDSS 1.013
Metabolism
FU 0.0780547
CYP1A2-inh 0.02
CYP1A2-sub 0.445
CYP2c19-inh 0.02
CYP2c19-sub 0.367
CYP2c9-inh 0.063
CYP2c9-sub 0.686
CYP2d6-inh 0.07
CYP2d6-sub 0.267
CYP3a4-inh 0.74
CYP3a4-sub 0.188
Excretion
CL 17.586
T12 0.113
Toxicity
hERG 0.051
Ames 0.014
ROA 0.953
SkinSen 0.601
Carcinogencity 0.486
EI 0.012
Respiratory 0.939
NR-Aromatase 0.716
Antiviral Prediction
Antiviral Yes
Prediction 0.614187
OSADHI

A database of all the medicinal plants having PAN India presence.
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