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CHEMBRIDGE-ZINC04853856

 MMsINC code: MMs00803271
Type: Neutral
Formula: C12H18N2O4
SMILES:   O(C)c1c(OC)cc(NC(=O)N(C)C)cc1OC
InChI:   InChI=1/C12H18N2O4/c1-14(2)12(15)13-8-6-9(16-3)11(18-5)10(7-8)17-4/h6-7H,1-5H3,(H,13,15)

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Potential Energy
Epot(MMFF94)=73.3134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.286 g/mol  logS: -1.47334  SlogP: 1.8059  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0439068  Sterimol/B1: 2.36687  Sterimol/B2: 3.45256  Sterimol/B3: 5.31744
  Sterimol/B4: 6.34432  Sterimol/L: 14.351 
 
 Surface and Volume Properties
  Accessible surface: 497.069  Positive charged surface: 445.506  Negative charged surface: 51.563  Volume: 246.25
  Hydrophobic surface: 445.822  Hydrophilic surface: 51.247
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.