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ENAMINE-ZINC03258390

 MMsINC code: MMs01335122
Type: Neutral
Formula: C11H13NO4
SMILES:   o1cccc1C(OCCN1CCCC1=O)=O
InChI:   InChI=1/C11H13NO4/c13-10-4-1-5-12(10)6-8-16-11(14)9-3-2-7-15-9/h2-3,7H,1,4-6,8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.5312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.228 g/mol  logS: -1.81729  SlogP: 1.0588  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100837  Sterimol/B1: 3.15356  Sterimol/B2: 3.42087  Sterimol/B3: 3.81031
  Sterimol/B4: 5.25727  Sterimol/L: 13.0297 
 
 Surface and Volume Properties
  Accessible surface: 440.072  Positive charged surface: 288.963  Negative charged surface: 151.108  Volume: 206.5
  Hydrophobic surface: 366.6  Hydrophilic surface: 73.472
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.