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

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Chemoinformaics analysis of DILLANOSIDE


Physiochemical Properties
Molecular Weight 470.43 nRot 4
Heavy Atom Molecular Weight 448.254 nRig 28
Exact Molecular Weight 470.121 nRing 5
Solubility: LogS -4.226 nHRing 2
Solubility: LogP 1.939 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 4
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 56 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 34 No. of Aromatic Carbocycles 3
nHetero 10 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 22 No. of Saturated Hetero Cycles 1
No. of Carbon atom 24 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 18
No. of Oxygen atom 10 No. of Arom Bond 21
nHA 10 APOL 62.7694
nHD 5 BPOL 29.8826
Medicinal Chemistry Properties
QED 0.215
Synth 3.897
Natural Product Likeliness 1.673
NR-PPAR-gamma 0.954
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.002
Pgp-sub 0.824
HIA 0.805
CACO-2 -5.668
Distribution
MDCK 0.0000168
BBB 0.1
PPB 0.806932
VDSS 0.974
Metabolism
FU 0.149456
CYP1A2-inh 0.167
CYP1A2-sub 0.227
CYP2c19-inh 0.03
CYP2c19-sub 0.099
CYP2c9-inh 0.024
CYP2c9-sub 0.794
CYP2d6-inh 0.253
CYP2d6-sub 0.599
CYP3a4-inh 0.084
CYP3a4-sub 0.039
Excretion
CL 1.788
T12 0.177
Toxicity
hERG 0.042
Ames 0.72
ROA 0.022
SkinSen 0.212
Carcinogencity 0.937
EI 0.024
Respiratory 0.059
NR-Aromatase 0.875
Antiviral Prediction
Antiviral Yes
Prediction 0.736851
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A database of all the medicinal plants having PAN India presence.
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