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

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Chemoinformaics analysis of Fuscin


Physiochemical Properties
Molecular Weight 154.253 nRot 6
Heavy Atom Molecular Weight 136.109 nRig 7
Exact Molecular Weight 154.136 nRing 0
Solubility: LogS -2.001 nHRing 0
Solubility: LogP 1.961 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 0 BPOL 18.9257
Medicinal Chemistry Properties
QED 0.693
Synth 1.644
Natural Product Likeliness 0.246
NR-PPAR-gamma 0.401
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.001
Pgp-sub 0.002
HIA 0.013
CACO-2 -5.228
Distribution
MDCK 0.00000965
BBB 0.451
PPB 0.748512
VDSS 0.351
Metabolism
FU 0.25181
CYP1A2-inh 0.044
CYP1A2-sub 0.585
CYP2c19-inh 0.036
CYP2c19-sub 0.059
CYP2c9-inh 0.061
CYP2c9-sub 0.169
CYP2d6-inh 0.015
CYP2d6-sub 0.143
CYP3a4-inh 0.021
CYP3a4-sub 0.082
Excretion
CL 7.131
T12 0.925
Toxicity
hERG 0.051
Ames 0.012
ROA 0.49
SkinSen 0.159
Carcinogencity 0.138
EI 0.972
Respiratory 0.408
NR-Aromatase 0.009
Antiviral Prediction
Antiviral No
Prediction 0.94298
OSADHI

A database of all the medicinal plants having PAN India presence.
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