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

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Chemoinformaics analysis of Glyphosate


Physiochemical Properties
Molecular Weight 169.073 nRot 4
Heavy Atom Molecular Weight 161.009 nRig 3
Exact Molecular Weight 169.014 nRing 0
Solubility: LogS -0.089 nHRing 0
Solubility: LogP -3.454 No. of Aliphatic Rings 0
Acid Count 3 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 18 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 10 No. of Aromatic Carbocycles 0
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 8 No. of Saturated Hetero Cycles 0
No. of Carbon atom 3 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 5 No. of Arom Bond 0
nHA 3 APOL 19.0843
nHD 4 BPOL 18.1717
Medicinal Chemistry Properties
QED 0.464
Synth 4.542
Natural Product Likeliness -0.01
NR-PPAR-gamma 0.002
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.002
HIA 0.906
CACO-2 -6.208
Distribution
MDCK 0.000399832
BBB 0.382
PPB 0.116715
VDSS 0.599
Metabolism
FU 0.916386
CYP1A2-inh 0.002
CYP1A2-sub 0.042
CYP2c19-inh 0.037
CYP2c19-sub 0.04
CYP2c9-inh 0.023
CYP2c9-sub 0.792
CYP2d6-inh 0.032
CYP2d6-sub 0.121
CYP3a4-inh 0.004
CYP3a4-sub 0.004
Excretion
CL 1.897
T12 0.734
Toxicity
hERG 0.007
Ames 0.02
ROA 0.006
SkinSen 0.472
Carcinogencity 0.041
EI 0.946
Respiratory 0.757
NR-Aromatase 0.001
Antiviral Prediction
Antiviral No
Prediction 0.966902
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A database of all the medicinal plants having PAN India presence.
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