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

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Chemoinformaics analysis of DICHOTOSININ


Physiochemical Properties
Molecular Weight 478.494 nRot 7
Heavy Atom Molecular Weight 448.254 nRig 23
Exact Molecular Weight 478.184 nRing 4
Solubility: LogS -3.511 nHRing 2
Solubility: LogP 1.598 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 64 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 34 No. of Aromatic Carbocycles 2
nHetero 10 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 30 No. of Saturated Hetero Cycles 1
No. of Carbon atom 24 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 10 No. of Arom Bond 12
nHA 10 APOL 68.1038
nHD 4 BPOL 40.5122
Medicinal Chemistry Properties
QED 0.455
Synth 3.967
Natural Product Likeliness 1.558
NR-PPAR-gamma 0.393
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.006
Pgp-sub 0.947
HIA 0.242
CACO-2 -5.884
Distribution
MDCK 0.0000629
BBB 0.461
PPB 0.756551
VDSS 0.478
Metabolism
FU 0.142861
CYP1A2-inh 0.016
CYP1A2-sub 0.543
CYP2c19-inh 0.018
CYP2c19-sub 0.88
CYP2c9-inh 0.005
CYP2c9-sub 0.679
CYP2d6-inh 0.023
CYP2d6-sub 0.904
CYP3a4-inh 0.039
CYP3a4-sub 0.353
Excretion
CL 6.481
T12 0.286
Toxicity
hERG 0.122
Ames 0.423
ROA 0.084
SkinSen 0.043
Carcinogencity 0.252
EI 0.007
Respiratory 0.151
NR-Aromatase 0.665
Antiviral Prediction
Antiviral Yes
Prediction 0.897956
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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