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

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Chemoinformaics analysis of HOMOSTACHYDRINE


Physiochemical Properties
Molecular Weight 157.213 nRot 1
Heavy Atom Molecular Weight 142.093 nRig 7
Exact Molecular Weight 157.11 nRing 1
Solubility: LogS -0.079 nHRing 1
Solubility: LogP -2.548 No. of Aliphatic Rings 1
Acid Count 1 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 26 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 11 No. of Aromatic Carbocycles 0
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 15 No. of Saturated Hetero Cycles 1
No. of Carbon atom 8 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 2 No. of Arom Bond 0
nHA 2 APOL 26.0659
nHD 0 BPOL 19.0641
Medicinal Chemistry Properties
QED 0.475
Synth 4.238
Natural Product Likeliness 1.088
NR-PPAR-gamma 0.005
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.253
HIA 0.961
CACO-2 -5.538
Distribution
MDCK 0.0000764
BBB 0.272
PPB 0.109834
VDSS 0.775
Metabolism
FU 0.900158
CYP1A2-inh 0.009
CYP1A2-sub 0.605
CYP2c19-inh 0.016
CYP2c19-sub 0.055
CYP2c9-inh 0.009
CYP2c9-sub 0.47
CYP2d6-inh 0.002
CYP2d6-sub 0.424
CYP3a4-inh 0.004
CYP3a4-sub 0.02
Excretion
CL 2.603
T12 0.916
Toxicity
hERG 0.005
Ames 0.004
ROA 0.044
SkinSen 0.087
Carcinogencity 0.021
EI 0.371
Respiratory 0.368
NR-Aromatase 0.002
Antiviral Prediction
Antiviral No
Prediction 0.919845
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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