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ASINEX-ZINC03072974

 MMsINC code: MMs00285419
Type: Neutral
Formula: C11H16N2O3
SMILES:   o1cccc1CNC(=O)C(=O)NCCCC
InChI:   InChI=1/C11H16N2O3/c1-2-3-6-12-10(14)11(15)13-8-9-5-4-7-16-9/h4-5,7H,2-3,6,8H2,1H3,(H,12,14)(H,13,15)

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Potential Energy
Epot(MMFF94)=23.3295 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.26 g/mol  logS: -2.49935  SlogP: 1.0785  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0286611  Sterimol/B1: 3.01705  Sterimol/B2: 3.22774  Sterimol/B3: 3.43636
  Sterimol/B4: 3.58991  Sterimol/L: 17.4319 
 
 Surface and Volume Properties
  Accessible surface: 488.831  Positive charged surface: 311.204  Negative charged surface: 177.627  Volume: 222.875
  Hydrophobic surface: 339.324  Hydrophilic surface: 149.507
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.