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

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Chemoinformaics analysis of (R)-LAVANDULOL


Physiochemical Properties
Molecular Weight 154.253 nRot 4
Heavy Atom Molecular Weight 136.109 nRig 2
Exact Molecular Weight 154.136 nRing 0
Solubility: LogS -2.632 nHRing 0
Solubility: LogP 3.125 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 29 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 11 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 18 No. of Saturated Hetero Cycles 0
No. of Carbon atom 10 No. of Saturated Rings 0
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 1 BPOL 18.0577
Medicinal Chemistry Properties
QED 0.617
Synth 3.461
Natural Product Likeliness 3.121
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.001
Pgp-sub 0.003
HIA 0.004
CACO-2 -4.302
Distribution
MDCK 0.0000131
BBB 0.993
PPB 0.74032
VDSS 1.791
Metabolism
FU 0.232581
CYP1A2-inh 0.337
CYP1A2-sub 0.314
CYP2c19-inh 0.035
CYP2c19-sub 0.827
CYP2c9-inh 0.009
CYP2c9-sub 0.452
CYP2d6-inh 0.019
CYP2d6-sub 0.452
CYP3a4-inh 0.019
CYP3a4-sub 0.258
Excretion
CL 13.247
T12 0.504
Toxicity
hERG 0.016
Ames 0.006
ROA 0.015
SkinSen 0.125
Carcinogencity 0.423
EI 0.98
Respiratory 0.201
NR-Aromatase 0.005
Antiviral Prediction
Antiviral No
Prediction 0.94598
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A database of all the medicinal plants having PAN India presence.
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