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 RIBONUCLEASE


Physiochemical Properties
Molecular Weight 1384.61 nRot 47
Heavy Atom Molecular Weight 1278.77 nRig 21
Exact Molecular Weight 1383.79 nRing 1
Solubility: LogS -1.995 nHRing 1
Solubility: LogP -5.143 No. of Aliphatic Rings 1
Acid Count 2 No. of Aromatic Rings 0
Base Count 9 No. of Aliphatic Carbocycles Rings 0
Atoms Count 202 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 97 No. of Aromatic Carbocycles 0
nHetero 39 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 105 No. of Saturated Hetero Cycles 1
No. of Carbon atom 58 No. of Saturated Rings 1
No. of Nitrogen atom 21 No. of Arom Atom 0
No. of Oxygen atom 18 No. of Arom Bond 0
nHA 21 APOL 204.409
nHD 22 BPOL 122.619
Medicinal Chemistry Properties
QED 0.015
Synth 6.422
Natural Product Likeliness 0.279
NR-PPAR-gamma 0.019
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.917
HIA 1
CACO-2 -8.033
Distribution
MDCK 0.000340513
BBB 0.036
PPB 0.114061
VDSS 0.33
Metabolism
FU 0.662535
CYP1A2-inh 0
CYP1A2-sub 0
CYP2c19-inh 0.001
CYP2c19-sub 0.008
CYP2c9-inh 0.019
CYP2c9-sub 0.001
CYP2d6-inh 0
CYP2d6-sub 0.018
CYP3a4-inh 0
CYP3a4-sub 0
Excretion
CL -0.09
T12 0.599
Toxicity
hERG 0.002
Ames 0.001
ROA 0.266
SkinSen 0.017
Carcinogencity 0.005
EI 0.002
Respiratory 0.007
NR-Aromatase 0
Antiviral Prediction
Antiviral Yes
Prediction 0.774702
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.