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

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Chemoinformaics analysis of Mycorrhizin a


Physiochemical Properties
Molecular Weight 282.723 nRot 1
Heavy Atom Molecular Weight 267.603 nRig 15
Exact Molecular Weight 282.066 nRing 3
Solubility: LogS -4.067 nHRing 1
Solubility: LogP 1.941 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 2
Atoms Count 34 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 19 No. of Aromatic Carbocycles 0
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 1
No. of Hydrogen atom 15 No. of Saturated Hetero Cycles 1
No. of Carbon atom 14 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 4 No. of Arom Bond 0
nHA 4 APOL 38.7699
nHD 1 BPOL 19.0301
Medicinal Chemistry Properties
QED 0.795
Synth 5.406
Natural Product Likeliness 2.103
NR-PPAR-gamma 0.032
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.033
Pgp-sub 0.001
HIA 0.016
CACO-2 -4.652
Distribution
MDCK 0.0000193
BBB 0.959
PPB 0.822217
VDSS 1.686
Metabolism
FU 0.18361
CYP1A2-inh 0.185
CYP1A2-sub 0.892
CYP2c19-inh 0.088
CYP2c19-sub 0.897
CYP2c9-inh 0.057
CYP2c9-sub 0.018
CYP2d6-inh 0.005
CYP2d6-sub 0.119
CYP3a4-inh 0.043
CYP3a4-sub 0.706
Excretion
CL 4.285
T12 0.586
Toxicity
hERG 0.017
Ames 0.976
ROA 0.974
SkinSen 0.897
Carcinogencity 0.929
EI 0.119
Respiratory 0.965
NR-Aromatase 0.933
Antiviral Prediction
Antiviral Yes
Prediction 0.730435
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A database of all the medicinal plants having PAN India presence.
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