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

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Chemoinformaics analysis of Eucalyptol


Physiochemical Properties
Molecular Weight 154.253 nRot 0
Heavy Atom Molecular Weight 136.109 nRig 22
Exact Molecular Weight 154.136 nRing 3
Solubility: LogS -4.526 nHRing 2
Solubility: LogP 3.668 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 29 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 11 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 2 No. Saturated Carbocycles 1
No. of Hydrogen atom 18 No. of Saturated Hetero Cycles 2
No. of Carbon atom 10 No. of Saturated Rings 3
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 1 APOL 29.5043
nHD 0 BPOL 19.7937
Medicinal Chemistry Properties
QED 0.613
Synth 4.349
Natural Product Likeliness 2.405
NR-PPAR-gamma 0.939
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.973
Pgp-sub 0.002
HIA 0.232
CACO-2 -4.855
Distribution
MDCK 0.0000256
BBB 0.116
PPB 0.949969
VDSS 0.225
Metabolism
FU 0.0792094
CYP1A2-inh 0.274
CYP1A2-sub 0.619
CYP2c19-inh 0.588
CYP2c19-sub 0.591
CYP2c9-inh 0.738
CYP2c9-sub 0.761
CYP2d6-inh 0.041
CYP2d6-sub 0.239
CYP3a4-inh 0.38
CYP3a4-sub 0.41
Excretion
CL 1.293
T12 0.122
Toxicity
hERG 0.001
Ames 0.023
ROA 0.932
SkinSen 0.133
Carcinogencity 0.381
EI 0.215
Respiratory 0.126
NR-Aromatase 0.893
Antiviral Prediction
Antiviral No
Prediction 0.930817
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A database of all the medicinal plants having PAN India presence.
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