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

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Chemoinformaics analysis of CARBONIC-ACID


Physiochemical Properties
Molecular Weight 62.024 nRot 0
Heavy Atom Molecular Weight 60.008 nRig 1
Exact Molecular Weight 62.0004 nRing 0
Solubility: LogS 0.502 nHRing 0
Solubility: LogP -0.467 No. of Aliphatic Rings 0
Acid Count 2 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 6 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 4 No. of Aromatic Carbocycles 0
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 2 No. of Saturated Hetero Cycles 0
No. of Carbon atom 1 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 3 No. of Arom Bond 0
nHA 1 APOL 5.40959
nHD 2 BPOL 2.87441
Medicinal Chemistry Properties
QED 0.422
Synth 1.618
Natural Product Likeliness 0.261
NR-PPAR-gamma 0.001
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.031
HIA 0.013
CACO-2 -6.279
Distribution
MDCK 0.00226238
BBB 0.723
PPB 0.0630785
VDSS 0.379
Metabolism
FU 0.845519
CYP1A2-inh 0.032
CYP1A2-sub 0.032
CYP2c19-inh 0.025
CYP2c19-sub 0.038
CYP2c9-inh 0.018
CYP2c9-sub 0.028
CYP2d6-inh 0.05
CYP2d6-sub 0.041
CYP3a4-inh 0.028
CYP3a4-sub 0.017
Excretion
CL 2.469
T12 0.821
Toxicity
hERG 0.003
Ames 0.008
ROA 0.814
SkinSen 0.337
Carcinogencity 0.031
EI 0.118
Respiratory 0.335
NR-Aromatase 0.003
Antiviral Prediction
Antiviral No
Prediction 0.933
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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