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

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Chemoinformaics analysis of PSEUDOMONINE


Physiochemical Properties
Molecular Weight 330.344 nRot 5
Heavy Atom Molecular Weight 312.2 nRig 18
Exact Molecular Weight 330.133 nRing 3
Solubility: LogS -2.075 nHRing 2
Solubility: LogP 0.779 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 42 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 24 No. of Aromatic Carbocycles 1
nHetero 8 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 18 No. of Saturated Hetero Cycles 1
No. of Carbon atom 16 No. of Saturated Rings 1
No. of Nitrogen atom 4 No. of Arom Atom 11
No. of Oxygen atom 4 No. of Arom Bond 11
nHA 5 APOL 46.3303
nHD 3 BPOL 24.3797
Medicinal Chemistry Properties
QED 0.745
Synth 3.831
Natural Product Likeliness -0.276
NR-PPAR-gamma 0.503
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.002
Pgp-sub 0.993
HIA 0.618
CACO-2 -5.267
Distribution
MDCK 0.00000428
BBB 0.964
PPB 0.562598
VDSS 0.672
Metabolism
FU 0.540549
CYP1A2-inh 0.039
CYP1A2-sub 0.13
CYP2c19-inh 0.131
CYP2c19-sub 0.06
CYP2c9-inh 0.083
CYP2c9-sub 0.91
CYP2d6-inh 0.237
CYP2d6-sub 0.051
CYP3a4-inh 0.799
CYP3a4-sub 0.158
Excretion
CL 9.758
T12 0.913
Toxicity
hERG 0.035
Ames 0.891
ROA 0.224
SkinSen 0.191
Carcinogencity 0.03
EI 0.012
Respiratory 0.197
NR-Aromatase 0.951
Antiviral Prediction
Antiviral Yes
Prediction 0.640187
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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