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

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Chemoinformaics analysis of RESCINNAMINE


Physiochemical Properties
Molecular Weight 634.726 nRot 9
Heavy Atom Molecular Weight 592.39 nRig 34
Exact Molecular Weight 634.289 nRing 6
Solubility: LogS -4.556 nHRing 3
Solubility: LogP 3.948 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 3
Base Count 1 No. of Aliphatic Carbocycles Rings 1
Atoms Count 88 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 46 No. of Aromatic Carbocycles 2
nHetero 11 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 1
No. of Hydrogen atom 42 No. of Saturated Hetero Cycles 1
No. of Carbon atom 35 No. of Saturated Rings 2
No. of Nitrogen atom 2 No. of Arom Atom 15
No. of Oxygen atom 9 No. of Arom Bond 16
nHA 10 APOL 95.8733
nHD 1 BPOL 58.3027
Medicinal Chemistry Properties
QED 0.265
Synth 4.458
Natural Product Likeliness 1.045
NR-PPAR-gamma 0.012
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 1
Pgp-sub 0.032
HIA 0.015
CACO-2 -5.131
Distribution
MDCK 0.0000389
BBB 0.826
PPB 0.921461
VDSS 0.801
Metabolism
FU 0.0639446
CYP1A2-inh 0.027
CYP1A2-sub 0.969
CYP2c19-inh 0.129
CYP2c19-sub 0.944
CYP2c9-inh 0.108
CYP2c9-sub 0.623
CYP2d6-inh 0.13
CYP2d6-sub 0.916
CYP3a4-inh 0.73
CYP3a4-sub 0.932
Excretion
CL 7.655
T12 0.267
Toxicity
hERG 0.942
Ames 0.061
ROA 0.659
SkinSen 0.175
Carcinogencity 0.025
EI 0.007
Respiratory 0.973
NR-Aromatase 0.691
Antiviral Prediction
Antiviral Yes
Prediction 0.960224
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)

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