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ENAMINE-ZINC03246871

 MMsINC code: MMs01328300
Type: Neutral
Formula: C13H12N2O5
SMILES:   o1cccc1CNC(=O)COC(=O)C1=CC=CNC1=O
InChI:   InChI=1/C13H12N2O5/c16-11(15-7-9-3-2-6-19-9)8-20-13(18)10-4-1-5-14-12(10)17/h1-6H,7-8H2,(H,14,17)(H,15,16)

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Potential Energy
Epot(MMFF94)=43.0624 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.248 g/mol  logS: -2.80014  SlogP: 0.2753  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0205728  Sterimol/B1: 3.04814  Sterimol/B2: 3.18539  Sterimol/B3: 3.4263
  Sterimol/B4: 4.45008  Sterimol/L: 17.7575 
 
 Surface and Volume Properties
  Accessible surface: 513.814  Positive charged surface: 289.044  Negative charged surface: 224.769  Volume: 244.75
  Hydrophobic surface: 340.089  Hydrophilic surface: 173.725
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.