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

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Chemoinformaics analysis of FORMIC-ACID


Physiochemical Properties
Molecular Weight 46.025 nRot 0
Heavy Atom Molecular Weight 44.009 nRig 1
Exact Molecular Weight 46.0055 nRing 0
Solubility: LogS 0.891 nHRing 0
Solubility: LogP -0.581 No. of Aliphatic Rings 0
Acid Count 1 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 5 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 3 No. of Aromatic Carbocycles 0
nHetero 2 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 2 No. of Arom Bond 0
nHA 1 APOL 4.60759
nHD 1 BPOL 2.87441
Medicinal Chemistry Properties
QED 0.38
Synth 3.057
Natural Product Likeliness 1.255
NR-PPAR-gamma 0.002
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.029
HIA 0.014
CACO-2 -5.868
Distribution
MDCK 0.00707798
BBB 0.96
PPB 0.108549
VDSS 0.443
Metabolism
FU 0.871288
CYP1A2-inh 0.018
CYP1A2-sub 0.102
CYP2c19-inh 0.03
CYP2c19-sub 0.061
CYP2c9-inh 0.009
CYP2c9-sub 0.332
CYP2d6-inh 0.049
CYP2d6-sub 0.175
CYP3a4-inh 0.009
CYP3a4-sub 0.029
Excretion
CL 3.455
T12 0.854
Toxicity
hERG 0.022
Ames 0.004
ROA 0.021
SkinSen 0.231
Carcinogencity 0.323
EI 0.624
Respiratory 0.138
NR-Aromatase 0.004
Antiviral Prediction
Antiviral No
Prediction 0.932
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

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