INDIAN MEDICINAL PHYTOCHEMICAL DATABASE
Developed Under an Indian Council of Medical Research Funded Project
(Govt. Of India, Sanction No:BIC/12(31)/2013)
Home About The Project People Submission Portal Contact Us
p-Cymene
Download
MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
27.6913
2.783
148.202
0
1
2
1
1
0.097

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
27.6913
Non-Mutagen
All properties and OPS components are within expected ranges.
0.474385
0.849587
-8.08729

ADMET

Energy
27.6913
Solubility
-3.191
Solubility_Level
3
Unknown_AlogP98
0
BBB_Level
0.432
EXT_CYP2D6
1
Prediction
-0.924561
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
10.1002
Hepatotoxic
0.100858
Hepatotoxic Prediction
-7.34498
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
6.98296
Absorption_Level
0.995874
EXT_PPB
0
EXT_PPB Prediction
-0.312679
PPB_Applicability
1
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
7.77925
ADMET_AlogP98
0.999997
ADMET_PSA_2D
2.783
ADMET_BBB
17.3

Ligand Efficency

Energy
Energy/LEHA
27.6913
2.51739

Click On The Picture to move.