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ASINEX-ZINC02279604

 MMsINC code: MMs00267420
Type: Neutral
Formula: C11H15NO4
SMILES:   o1cccc1C(=O)NCCCCCC(O)=O
InChI:   InChI=1/C11H15NO4/c13-10(14)6-2-1-3-7-12-11(15)9-5-4-8-16-9/h4-5,8H,1-3,6-7H2,(H,12,15)(H,13,14)

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Potential Energy
Epot(MMFF94)=5.66843 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.244 g/mol  logS: -1.76565  SlogP: 1.6544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0142205  Sterimol/B1: 2.37433  Sterimol/B2: 2.37623  Sterimol/B3: 3.63081
  Sterimol/B4: 4.18274  Sterimol/L: 17.8231 
 
 Surface and Volume Properties
  Accessible surface: 479.065  Positive charged surface: 301.758  Negative charged surface: 177.306  Volume: 215.5
  Hydrophobic surface: 319.674  Hydrophilic surface: 159.391
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00267421
ASINEX-ZINC02279604