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 Mogoltadone


Physiochemical Properties
Molecular Weight 380.484 nRot 3
Heavy Atom Molecular Weight 352.26 nRig 25
Exact Molecular Weight 380.199 nRing 4
Solubility: LogS -5.145 nHRing 1
Solubility: LogP 4.415 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 2
Atoms Count 56 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 28 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 2
No. of Hydrogen atom 28 No. of Saturated Hetero Cycles 0
No. of Carbon atom 24 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 10
No. of Oxygen atom 4 No. of Arom Bond 11
nHA 4 APOL 61.9582
nHD 0 BPOL 33.2978
Medicinal Chemistry Properties
QED 0.546
Synth 3.781
Natural Product Likeliness 2.123
NR-PPAR-gamma 0.103
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.994
Pgp-sub 0.001
HIA 0.003
CACO-2 -4.83
Distribution
MDCK 0.0000179
BBB 0.05
PPB 0.923519
VDSS 0.757
Metabolism
FU 0.0438456
CYP1A2-inh 0.448
CYP1A2-sub 0.899
CYP2c19-inh 0.579
CYP2c19-sub 0.518
CYP2c9-inh 0.483
CYP2c9-sub 0.928
CYP2d6-inh 0.6
CYP2d6-sub 0.908
CYP3a4-inh 0.496
CYP3a4-sub 0.461
Excretion
CL 8.757
T12 0.299
Toxicity
hERG 0.031
Ames 0.026
ROA 0.144
SkinSen 0.129
Carcinogencity 0.622
EI 0.224
Respiratory 0.871
NR-Aromatase 0.46
Antiviral Prediction
Antiviral Yes
Prediction 0.641339
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.