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

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Chemoinformaics analysis of OPHIOPOGON-B


Physiochemical Properties
Molecular Weight 1049.17 nRot 10
Heavy Atom Molecular Weight 968.527 nRig 54
Exact Molecular Weight 1048.51 nRing 10
Solubility: LogS -1.147 nHRing 6
Solubility: LogP -1.144 No. of Aliphatic Rings 10
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 153 No. of Aliphatic Hetero Cycles 6
No. of Heavy Atom 73 No. of Aromatic Carbocycles 0
nHetero 23 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 3
No. of Hydrogen atom 80 No. of Saturated Hetero Cycles 6
No. of Carbon atom 50 No. of Saturated Rings 9
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 23 No. of Arom Bond 0
nHA 23 APOL 155.289
nHD 13 BPOL 97.6166
Medicinal Chemistry Properties
QED 0.096
Synth 7.388
Natural Product Likeliness 2.262
NR-PPAR-gamma 0.667
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.006
Pgp-sub 0.104
HIA 0.999
CACO-2 -6.408
Distribution
MDCK 0.000385394
BBB 0.115
PPB 0.342588
VDSS -0.327
Metabolism
FU 0.204595
CYP1A2-inh 0
CYP1A2-sub 0.093
CYP2c19-inh 0
CYP2c19-sub 0.066
CYP2c9-inh 0
CYP2c9-sub 0.033
CYP2d6-inh 0
CYP2d6-sub 0.071
CYP3a4-inh 0.006
CYP3a4-sub 0.005
Excretion
CL 0.166
T12 0.021
Toxicity
hERG 0.015
Ames 0.079
ROA 0.998
SkinSen 0.001
Carcinogencity 0.043
EI 0.001
Respiratory 0.024
NR-Aromatase 0.815
Antiviral Prediction
Antiviral Yes
Prediction 0.853882
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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