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ENAMINE-ZINC03253150

 MMsINC code: MMs01331904
Type: Neutral
Formula: C14H14N2O4
SMILES:   o1cccc1C(=O)NNC(=O)COc1ccccc1C
InChI:   InChI=1/C14H14N2O4/c1-10-5-2-3-6-11(10)20-9-13(17)15-16-14(18)12-7-4-8-19-12/h2-8H,9H2,1H3,(H,15,17)(H,16,18)

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Potential Energy
Epot(MMFF94)=75.9712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.276 g/mol  logS: -3.57226  SlogP: 1.42802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00427847  Sterimol/B1: 2.0147  Sterimol/B2: 2.37772  Sterimol/B3: 2.51225
  Sterimol/B4: 6.73631  Sterimol/L: 18.3499 
 
 Surface and Volume Properties
  Accessible surface: 529.971  Positive charged surface: 290.491  Negative charged surface: 239.48  Volume: 253.375
  Hydrophobic surface: 405.788  Hydrophilic surface: 124.183
 
 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.