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

  • Home
  • About
  • Features
  • Search
    • Name
    • Therapeutics
    • Family
    • Phytochemicals
    • Natural Product Classes
  • Team
  • Contact

Chemoinformaics analysis of ARCTIC-ACID


Physiochemical Properties
Molecular Weight 248.328 nRot 2
Heavy Atom Molecular Weight 240.264 nRig 12
Exact Molecular Weight 247.997 nRing 2
Solubility: LogS -3.964 nHRing 2
Solubility: LogP 4.497 No. of Aliphatic Rings 0
Acid Count 1 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 24 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 16 No. of Aromatic Carbocycles 0
nHetero 4 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 8 No. of Saturated Hetero Cycles 0
No. of Carbon atom 12 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 10
No. of Oxygen atom 2 No. of Arom Bond 10
nHA 3 APOL 32.7783
nHD 1 BPOL 13.8137
Medicinal Chemistry Properties
QED 0.825
Synth 2.767
Natural Product Likeliness 0.934
NR-PPAR-gamma 0.98
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.001
HIA 0.023
CACO-2 -4.977
Distribution
MDCK 0.0000118
BBB 0.003
PPB 1.00966
VDSS 0.411
Metabolism
FU 0.0137457
CYP1A2-inh 0.758
CYP1A2-sub 0.154
CYP2c19-inh 0.632
CYP2c19-sub 0.063
CYP2c9-inh 0.718
CYP2c9-sub 0.578
CYP2d6-inh 0.086
CYP2d6-sub 0.212
CYP3a4-inh 0.145
CYP3a4-sub 0.184
Excretion
CL 0.985
T12 0.026
Toxicity
hERG 0.016
Ames 0.016
ROA 0.049
SkinSen 0.779
Carcinogencity 0.55
EI 0.797
Respiratory 0.875
NR-Aromatase 0.249
Antiviral Prediction
Antiviral No
Prediction 0.749634
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)
  • Cation Aromatic Database (CAD)

Useful Links

  • CSIR-NEIST
  • CSIR
  • More Links

© Copyrights CSIR-NEIST. All rights reserved.