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NCID-ZINC01677197

 MMsINC code: MMs02312256
Type: Neutral
Formula: C10H14N2O4
SMILES:   o1cccc1CNC(=O)NCOC(=O)CC
InChI:   InChI=1/C10H14N2O4/c1-2-9(13)16-7-12-10(14)11-6-8-4-3-5-15-8/h3-5H,2,6-7H2,1H3,(H2,11,12,14)

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Potential Energy
Epot(MMFF94)=-27.4885 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.232 g/mol  logS: -1.4466  SlogP: 1.2559  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0530406  Sterimol/B1: 2.41878  Sterimol/B2: 2.80654  Sterimol/B3: 3.5115
  Sterimol/B4: 6.04079  Sterimol/L: 15.2204 
 
 Surface and Volume Properties
  Accessible surface: 474.623  Positive charged surface: 300.971  Negative charged surface: 173.652  Volume: 211.75
  Hydrophobic surface: 313.598  Hydrophilic surface: 161.025
 
 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.