logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


NCID-ZINC01710995

 MMsINC code: MMs02338146
Type: Ionized
Formula: C20H23O3-
SMILES:   OC(C(=O)[O-])(c1ccc(cc1)C(C)C)c1ccc(cc1)C(C)C
InChI:   InChI=1/C20H24O3/c1-13(2)15-5-9-17(10-6-15)20(23,19(21)22)18-11-7-16(8-12-18)14(3)4/h5-14,23H,1-4H3,(H,21,22)/p-1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=94.2837 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.401 g/mol  logS: -6.18881  SlogP: 3.2307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0917005  Sterimol/B1: 3.23304  Sterimol/B2: 3.8091  Sterimol/B3: 4.7547
  Sterimol/B4: 7.00978  Sterimol/L: 16.6861 
 
 Surface and Volume Properties
  Accessible surface: 586.503  Positive charged surface: 360.439  Negative charged surface: 226.063  Volume: 325.625
  Hydrophobic surface: 421.803  Hydrophilic surface: 164.7
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   
Parent related molecule:


MMs02338145
NCID-ZINC01710995