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

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Chemoinformaics analysis of Fibleucinoside


Physiochemical Properties
Molecular Weight 518.515 nRot 4
Heavy Atom Molecular Weight 488.275 nRig 32
Exact Molecular Weight 518.179 nRing 7
Solubility: LogS -3.096 nHRing 5
Solubility: LogP 1.071 No. of Aliphatic Rings 6
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 2
Atoms Count 67 No. of Aliphatic Hetero Cycles 4
No. of Heavy Atom 37 No. of Aromatic Carbocycles 0
nHetero 11 No. of Aromatic Hetero Cycles 1
nBridge Head 2 No. Saturated Carbocycles 0
No. of Hydrogen atom 30 No. of Saturated Hetero Cycles 3
No. of Carbon atom 26 No. of Saturated Rings 3
No. of Nitrogen atom 0 No. of Arom Atom 5
No. of Oxygen atom 11 No. of Arom Bond 5
nHA 11 APOL 72.2458
nHD 4 BPOL 40.5122
Medicinal Chemistry Properties
QED 0.319
Synth 6.256
Natural Product Likeliness 2.825
NR-PPAR-gamma 0.034
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.299
Pgp-sub 0.955
HIA 0.904
CACO-2 -5.824
Distribution
MDCK 0.0000488
BBB 0.087
PPB 0.822447
VDSS 1.233
Metabolism
FU 0.147824
CYP1A2-inh 0.011
CYP1A2-sub 0.745
CYP2c19-inh 0.028
CYP2c19-sub 0.581
CYP2c9-inh 0.085
CYP2c9-sub 0.024
CYP2d6-inh 0.003
CYP2d6-sub 0.096
CYP3a4-inh 0.805
CYP3a4-sub 0.354
Excretion
CL 1.561
T12 0.703
Toxicity
hERG 0.057
Ames 0.263
ROA 0.657
SkinSen 0.088
Carcinogencity 0.837
EI 0.014
Respiratory 0.859
NR-Aromatase 0.814
Antiviral Prediction
Antiviral Yes
Prediction 0.861799
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A database of all the medicinal plants having PAN India presence.
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