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

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Chemoinformaics analysis of LANUGINOSINE


Physiochemical Properties
Molecular Weight 305.289 nRot 1
Heavy Atom Molecular Weight 294.201 nRig 25
Exact Molecular Weight 305.069 nRing 5
Solubility: LogS -6.67 nHRing 2
Solubility: LogP 3.803 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 34 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 23 No. of Aromatic Carbocycles 2
nHetero 5 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 11 No. of Saturated Hetero Cycles 0
No. of Carbon atom 18 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 16
No. of Oxygen atom 4 No. of Arom Bond 17
nHA 5 APOL 41.7027
nHD 0 BPOL 18.2513
Medicinal Chemistry Properties
QED 0.54
Synth 2.6
Natural Product Likeliness 1.071
NR-PPAR-gamma 0.154
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.42
Pgp-sub 0
HIA 0.002
CACO-2 -4.863
Distribution
MDCK 0.0000226
BBB 0.214
PPB 0.974209
VDSS 0.688
Metabolism
FU 0.0177991
CYP1A2-inh 0.965
CYP1A2-sub 0.42
CYP2c19-inh 0.928
CYP2c19-sub 0.123
CYP2c9-inh 0.707
CYP2c9-sub 0.914
CYP2d6-inh 0.75
CYP2d6-sub 0.896
CYP3a4-inh 0.855
CYP3a4-sub 0.155
Excretion
CL 11.353
T12 0.127
Toxicity
hERG 0.074
Ames 0.907
ROA 0.041
SkinSen 0.07
Carcinogencity 0.955
EI 0.364
Respiratory 0.882
NR-Aromatase 0.683
Antiviral Prediction
Antiviral Yes
Prediction 0.846375
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A database of all the medicinal plants having PAN India presence.
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