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PUBCHEM-ZINC00584333

 MMsINC code: MMs02710595
Type: Neutral
Formula: C14H14N2O4
SMILES:   o1cccc1C(=O)NNC(=O)COc1cc(ccc1)C
InChI:   InChI=1/C14H14N2O4/c1-10-4-2-5-11(8-10)20-9-13(17)15-16-14(18)12-6-3-7-19-12/h2-8H,9H2,1H3,(H,15,17)(H,16,18)

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Potential Energy
Epot(MMFF94)=74.7752 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.276 g/mol  logS: -3.88571  SlogP: 1.42802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00375423  Sterimol/B1: 2.37829  Sterimol/B2: 2.47335  Sterimol/B3: 2.51235
  Sterimol/B4: 5.80063  Sterimol/L: 19.0533 
 
 Surface and Volume Properties
  Accessible surface: 539.231  Positive charged surface: 292.582  Negative charged surface: 246.649  Volume: 254.25
  Hydrophobic surface: 407.727  Hydrophilic surface: 131.504
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.