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

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Chemoinformaics analysis of OPHIOPOGON-A


Physiochemical Properties
Molecular Weight 887.026 nRot 7
Heavy Atom Molecular Weight 816.466 nRig 48
Exact Molecular Weight 886.456 nRing 9
Solubility: LogS -1.996 nHRing 5
Solubility: LogP -0.011 No. of Aliphatic Rings 9
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 132 No. of Aliphatic Hetero Cycles 5
No. of Heavy Atom 62 No. of Aromatic Carbocycles 0
nHetero 18 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 3
No. of Hydrogen atom 70 No. of Saturated Hetero Cycles 5
No. of Carbon atom 44 No. of Saturated Rings 8
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 18 No. of Arom Bond 0
nHA 18 APOL 134.592
nHD 10 BPOL 84.1125
Medicinal Chemistry Properties
QED 0.139
Synth 6.947
Natural Product Likeliness 2.628
NR-PPAR-gamma 0.655
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.006
Pgp-sub 0.04
HIA 0.992
CACO-2 -6.184
Distribution
MDCK 0.00015081
BBB 0.079
PPB 0.500027
VDSS -0.005
Metabolism
FU 0.166577
CYP1A2-inh 0
CYP1A2-sub 0.315
CYP2c19-inh 0.001
CYP2c19-sub 0.2
CYP2c9-inh 0
CYP2c9-sub 0.047
CYP2d6-inh 0
CYP2d6-sub 0.104
CYP3a4-inh 0.011
CYP3a4-sub 0.021
Excretion
CL 0.518
T12 0.023
Toxicity
hERG 0.021
Ames 0.106
ROA 0.996
SkinSen 0.004
Carcinogencity 0.081
EI 0.002
Respiratory 0.066
NR-Aromatase 0.832
Antiviral Prediction
Antiviral Yes
Prediction 0.849365
OSADHI

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

Our Other Tools

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  • Aromatic–Aromatic Interactions Database (A2ID)
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