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

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Chemoinformaics analysis of Salonitenolide


Physiochemical Properties
Molecular Weight 264.321 nRot 1
Heavy Atom Molecular Weight 244.161 nRig 16
Exact Molecular Weight 264.136 nRing 2
Solubility: LogS -2.185 nHRing 1
Solubility: LogP 0.55 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 39 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 19 No. of Aromatic Carbocycles 0
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 20 No. of Saturated Hetero Cycles 1
No. of Carbon atom 15 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 4 No. of Arom Bond 0
nHA 4 APOL 41.5939
nHD 2 BPOL 22.6681
Medicinal Chemistry Properties
QED 0.428
Synth 4.696
Natural Product Likeliness 3.476
NR-PPAR-gamma 0.033
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.001
HIA 0.875
CACO-2 -4.674
Distribution
MDCK 0.0000249
BBB 0.42
PPB 0.684453
VDSS 0.455
Metabolism
FU 0.506676
CYP1A2-inh 0.135
CYP1A2-sub 0.083
CYP2c19-inh 0.052
CYP2c19-sub 0.184
CYP2c9-inh 0.04
CYP2c9-sub 0.164
CYP2d6-inh 0.01
CYP2d6-sub 0.175
CYP3a4-inh 0.084
CYP3a4-sub 0.22
Excretion
CL 5.635
T12 0.921
Toxicity
hERG 0.017
Ames 0.069
ROA 0.644
SkinSen 0.737
Carcinogencity 0.116
EI 0.247
Respiratory 0.774
NR-Aromatase 0.813
Antiviral Prediction
Antiviral Yes
Prediction 0.89117
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A database of all the medicinal plants having PAN India presence.
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