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

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Chemoinformaics analysis of FORSYTHIASIDE


Physiochemical Properties
Molecular Weight 624.592 nRot 10
Heavy Atom Molecular Weight 588.304 nRig 26
Exact Molecular Weight 624.205 nRing 4
Solubility: LogS -2.053 nHRing 2
Solubility: LogP -0.38 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 80 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 44 No. of Aromatic Carbocycles 2
nHetero 15 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 36 No. of Saturated Hetero Cycles 2
No. of Carbon atom 29 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 15 No. of Arom Bond 12
nHA 15 APOL 84.4645
nHD 9 BPOL 45.6635
Medicinal Chemistry Properties
QED 0.087
Synth 4.74
Natural Product Likeliness 1.695
NR-PPAR-gamma 0.962
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.002
Pgp-sub 0.945
HIA 0.992
CACO-2 -6.435
Distribution
MDCK 0.000041
BBB 0.285
PPB 0.948728
VDSS 0.317
Metabolism
FU 0.112276
CYP1A2-inh 0.009
CYP1A2-sub 0.023
CYP2c19-inh 0.028
CYP2c19-sub 0.055
CYP2c9-inh 0.004
CYP2c9-sub 0.506
CYP2d6-inh 0.009
CYP2d6-sub 0.188
CYP3a4-inh 0.018
CYP3a4-sub 0.018
Excretion
CL 1.337
T12 0.702
Toxicity
hERG 0.023
Ames 0.425
ROA 0.094
SkinSen 0.87
Carcinogencity 0.089
EI 0.007
Respiratory 0.016
NR-Aromatase 0.888
Antiviral Prediction
Antiviral Yes
Prediction 0.895354
OSADHI

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