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 fusidic acid


Physiochemical Properties
Molecular Weight 516.719 nRot 5
Heavy Atom Molecular Weight 468.335 nRig 23
Exact Molecular Weight 516.345 nRing 4
Solubility: LogS -4.501 nHRing 0
Solubility: LogP 4.274 No. of Aliphatic Rings 4
Acid Count 1 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 85 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 37 No. of Aromatic Carbocycles 0
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 4
No. of Hydrogen atom 48 No. of Saturated Hetero Cycles 0
No. of Carbon atom 31 No. of Saturated Rings 4
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 6 No. of Arom Bond 0
nHA 5 APOL 88.5881
nHD 3 BPOL 51.6259
Medicinal Chemistry Properties
QED 0.301
Synth 5.208
Natural Product Likeliness 2.457
NR-PPAR-gamma 0.559
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.255
Pgp-sub 0.982
HIA 0.774
CACO-2 -5.3
Distribution
MDCK 0.0000193
BBB 0.953
PPB 0.974887
VDSS 0.736
Metabolism
FU 0.039535
CYP1A2-inh 0.007
CYP1A2-sub 0.117
CYP2c19-inh 0.007
CYP2c19-sub 0.835
CYP2c9-inh 0.038
CYP2c9-sub 0.715
CYP2d6-inh 0
CYP2d6-sub 0.083
CYP3a4-inh 0.112
CYP3a4-sub 0.102
Excretion
CL 6.559
T12 0.118
Toxicity
hERG 0.002
Ames 0.006
ROA 0.367
SkinSen 0.043
Carcinogencity 0.074
EI 0.008
Respiratory 0.915
NR-Aromatase 0.01
Antiviral Prediction
Antiviral Yes
Prediction 0.684503
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.