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

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Chemoinformaics analysis of STEMOAMIDE


Physiochemical Properties
Molecular Weight 223.272 nRot 0
Heavy Atom Molecular Weight 206.136 nRig 17
Exact Molecular Weight 223.121 nRing 3
Solubility: LogS -1.259 nHRing 3
Solubility: LogP 0.099 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 33 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 16 No. of Aromatic Carbocycles 0
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 17 No. of Saturated Hetero Cycles 3
No. of Carbon atom 12 No. of Saturated Rings 3
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 3 No. of Arom Bond 0
nHA 3 APOL 34.8815
nHD 0 BPOL 22.2365
Medicinal Chemistry Properties
QED 0.574
Synth 3.93
Natural Product Likeliness 1.792
NR-PPAR-gamma 0.006
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.137
Pgp-sub 0.001
HIA 0.01
CACO-2 -4.691
Distribution
MDCK 0.000102694
BBB 0.994
PPB 0.223758
VDSS 0.815
Metabolism
FU 0.753009
CYP1A2-inh 0.014
CYP1A2-sub 0.153
CYP2c19-inh 0.031
CYP2c19-sub 0.749
CYP2c9-inh 0.006
CYP2c9-sub 0.441
CYP2d6-inh 0.013
CYP2d6-sub 0.215
CYP3a4-inh 0.13
CYP3a4-sub 0.5
Excretion
CL 11.421
T12 0.402
Toxicity
hERG 0.009
Ames 0.009
ROA 0.389
SkinSen 0.12
Carcinogencity 0.071
EI 0.023
Respiratory 0.036
NR-Aromatase 0.011
Antiviral Prediction
Antiviral Yes
Prediction 0.688222
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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