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CHEMSTAR-ZINC00235560

 MMsINC code: MMs01073892
Type: Ionized
Formula: C11H11ClNO3-
SMILES:   Clc1cc(NC(=O)CCCC(=O)[O-])ccc1
InChI:   InChI=1/C11H12ClNO3/c12-8-3-1-4-9(7-8)13-10(14)5-2-6-11(15)16/h1,3-4,7H,2,5-6H2,(H,13,14)(H,15,16)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.666 g/mol  logS: -2.54316  SlogP: 1.1987  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0129097  Sterimol/B1: 2.36908  Sterimol/B2: 2.37341  Sterimol/B3: 2.51657
  Sterimol/B4: 5.69551  Sterimol/L: 15.9155 
 
 Surface and Volume Properties
  Accessible surface: 455.587  Positive charged surface: 220.902  Negative charged surface: 234.684  Volume: 214.875
  Hydrophobic surface: 314.779  Hydrophilic surface: 140.808
 
 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
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Parent related molecule:


MMs01073891
CHEMSTAR-ZINC00235560