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

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Chemoinformaics analysis of  Matatabiether


Physiochemical Properties
Molecular Weight 152.237 nRot 0
Heavy Atom Molecular Weight 136.109 nRig 10
Exact Molecular Weight 152.12 nRing 2
Solubility: LogS -2.897 nHRing 1
Solubility: LogP 2.276 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 27 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 11 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 2 No. Saturated Carbocycles 1
No. of Hydrogen atom 16 No. of Saturated Hetero Cycles 1
No. of Carbon atom 10 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 1 APOL 28.1707
nHD 0 BPOL 17.7873
Medicinal Chemistry Properties
QED 0.484
Synth 5.228
Natural Product Likeliness 2.769
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0
HIA 0.003
CACO-2 -4.456
Distribution
MDCK 0.0000231
BBB 0.946
PPB 0.526447
VDSS 1.322
Metabolism
FU 0.484524
CYP1A2-inh 0.083
CYP1A2-sub 0.804
CYP2c19-inh 0.038
CYP2c19-sub 0.939
CYP2c9-inh 0.025
CYP2c9-sub 0.19
CYP2d6-inh 0.008
CYP2d6-sub 0.849
CYP3a4-inh 0.088
CYP3a4-sub 0.691
Excretion
CL 9.602
T12 0.155
Toxicity
hERG 0.015
Ames 0.295
ROA 0.059
SkinSen 0.114
Carcinogencity 0.689
EI 0.723
Respiratory 0.29
NR-Aromatase 0.028
Antiviral Prediction
Antiviral No
Prediction 0.935052
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A database of all the medicinal plants having PAN India presence.
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