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

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Chemoinformaics analysis of BURSERAN


Physiochemical Properties
Molecular Weight 386.444 nRot 7
Heavy Atom Molecular Weight 360.236 nRig 21
Exact Molecular Weight 386.173 nRing 4
Solubility: LogS -4.634 nHRing 2
Solubility: LogP 3.369 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 54 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 28 No. of Aromatic Carbocycles 2
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 26 No. of Saturated Hetero Cycles 1
No. of Carbon atom 22 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 6 No. of Arom Bond 12
nHA 6 APOL 58.8886
nHD 0 BPOL 36.4994
Medicinal Chemistry Properties
QED 0.726
Synth 3.228
Natural Product Likeliness 0.641
NR-PPAR-gamma 0.001
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.996
Pgp-sub 0.003
HIA 0.001
CACO-2 -4.804
Distribution
MDCK 0.0000384
BBB 0.051
PPB 0.971437
VDSS 1.266
Metabolism
FU 0.0184018
CYP1A2-inh 0.653
CYP1A2-sub 0.915
CYP2c19-inh 0.935
CYP2c19-sub 0.898
CYP2c9-inh 0.838
CYP2c9-sub 0.846
CYP2d6-inh 0.913
CYP2d6-sub 0.938
CYP3a4-inh 0.977
CYP3a4-sub 0.913
Excretion
CL 12.044
T12 0.446
Toxicity
hERG 0.402
Ames 0.095
ROA 0.003
SkinSen 0.93
Carcinogencity 0.861
EI 0.026
Respiratory 0.133
NR-Aromatase 0.587
Antiviral Prediction
Antiviral No
Prediction 0.618858
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

Our Other Tools

  • Molecular Property Diagnostic Suite (MPDS)
  • North East India Medicinal Plant Database (NEI-MPDB)
  • Aromatic–Aromatic Interactions Database (A2ID)
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