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

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Chemoinformaics analysis of 11-HYDROXYTEPHROSIN


Physiochemical Properties
Molecular Weight 426.421 nRot 2
Heavy Atom Molecular Weight 404.245 nRig 27
Exact Molecular Weight 426.131 nRing 5
Solubility: LogS -3.935 nHRing 3
Solubility: LogP 4.016 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 53 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 31 No. of Aromatic Carbocycles 2
nHetero 8 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 22 No. of Saturated Hetero Cycles 0
No. of Carbon atom 23 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 8 No. of Arom Bond 12
nHA 8 APOL 59.4954
nHD 2 BPOL 31.6186
Medicinal Chemistry Properties
QED 0.756
Synth 3.966
Natural Product Likeliness 2.694
NR-PPAR-gamma 0.89
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.875
Pgp-sub 0.001
HIA 0.035
CACO-2 -4.777
Distribution
MDCK 0.0000186
BBB 0.029
PPB 0.950695
VDSS 0.758
Metabolism
FU 0.0666205
CYP1A2-inh 0.193
CYP1A2-sub 0.734
CYP2c19-inh 0.211
CYP2c19-sub 0.823
CYP2c9-inh 0.385
CYP2c9-sub 0.78
CYP2d6-inh 0.79
CYP2d6-sub 0.665
CYP3a4-inh 0.779
CYP3a4-sub 0.82
Excretion
CL 2.8
T12 0.135
Toxicity
hERG 0.07
Ames 0.075
ROA 0.622
SkinSen 0.332
Carcinogencity 0.83
EI 0.029
Respiratory 0.42
NR-Aromatase 0.852
Antiviral Prediction
Antiviral Yes
Prediction 0.823216
OSADHI

A database of all the medicinal plants having PAN India presence.
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