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

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Chemoinformaics analysis of PIPERMETHYSTINE


Physiochemical Properties
Molecular Weight 287.315 nRot 4
Heavy Atom Molecular Weight 270.179 nRig 15
Exact Molecular Weight 287.116 nRing 2
Solubility: LogS -1.888 nHRing 1
Solubility: LogP 1.648 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 38 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 21 No. of Aromatic Carbocycles 1
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 17 No. of Saturated Hetero Cycles 0
No. of Carbon atom 16 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 4 No. of Arom Bond 6
nHA 4 APOL 42.3635
nHD 0 BPOL 23.1045
Medicinal Chemistry Properties
QED 0.792
Synth 2.558
Natural Product Likeliness 0.243
NR-PPAR-gamma 0.01
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.894
Pgp-sub 0.002
HIA 0.11
CACO-2 -4.727
Distribution
MDCK 0.0000473
BBB 0.999
PPB 0.389506
VDSS 0.288
Metabolism
FU 0.692624
CYP1A2-inh 0.199
CYP1A2-sub 0.088
CYP2c19-inh 0.592
CYP2c19-sub 0.142
CYP2c9-inh 0.345
CYP2c9-sub 0.37
CYP2d6-inh 0.012
CYP2d6-sub 0.149
CYP3a4-inh 0.173
CYP3a4-sub 0.391
Excretion
CL 5.85
T12 0.742
Toxicity
hERG 0.01
Ames 0.019
ROA 0.02
SkinSen 0.966
Carcinogencity 0.244
EI 0.101
Respiratory 0.029
NR-Aromatase 0.013
Antiviral Prediction
Antiviral Yes
Prediction 0.823327
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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