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

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Chemoinformaics analysis of ADENOSINE


Physiochemical Properties
Molecular Weight 267.245 nRot 2
Heavy Atom Molecular Weight 254.141 nRig 16
Exact Molecular Weight 267.097 nRing 3
Solubility: LogS -1.714 nHRing 3
Solubility: LogP -2.28 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 32 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 19 No. of Aromatic Carbocycles 0
nHetero 9 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 13 No. of Saturated Hetero Cycles 1
No. of Carbon atom 10 No. of Saturated Rings 1
No. of Nitrogen atom 5 No. of Arom Atom 9
No. of Oxygen atom 4 No. of Arom Bond 10
nHA 9 APOL 34.0763
nHD 4 BPOL 19.3377
Medicinal Chemistry Properties
QED 0.42
Synth 4.159
Natural Product Likeliness 1.259
NR-PPAR-gamma 0.032
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.963
HIA 0.993
CACO-2 -5.693
Distribution
MDCK 0.0000161
BBB 0.746
PPB 0.132528
VDSS 1.134
Metabolism
FU 0.773234
CYP1A2-inh 0.015
CYP1A2-sub 0.232
CYP2c19-inh 0.032
CYP2c19-sub 0.061
CYP2c9-inh 0.001
CYP2c9-sub 0.422
CYP2d6-inh 0.008
CYP2d6-sub 0.077
CYP3a4-inh 0.008
CYP3a4-sub 0.034
Excretion
CL 3.596
T12 0.852
Toxicity
hERG 0.02
Ames 0.13
ROA 0.658
SkinSen 0.096
Carcinogencity 0.096
EI 0.011
Respiratory 0.961
NR-Aromatase 0.919
Antiviral Prediction
Antiviral No
Prediction 0.818078
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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  • Aromatic–Aromatic Interactions Database (A2ID)
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