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ENAMINE-ZINC03427816

 MMsINC code: MMs01435649
Type: Neutral
Formula: C15H15N3O5
SMILES:   o1nc(NC(=O)COC(=O)CNC(=O)c2ccccc2)cc1C
InChI:   InChI=1/C15H15N3O5/c1-10-7-12(18-23-10)17-13(19)9-22-14(20)8-16-15(21)11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,16,21)(H,17,18,19)

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Potential Energy
Epot(MMFF94)=69.9746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.301 g/mol  logS: -3.20661  SlogP: 0.89472  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00405619  Sterimol/B1: 2.37577  Sterimol/B2: 2.51189  Sterimol/B3: 2.68767
  Sterimol/B4: 5.2837  Sterimol/L: 20.9743 
 
 Surface and Volume Properties
  Accessible surface: 582.883  Positive charged surface: 325.585  Negative charged surface: 257.298  Volume: 284.375
  Hydrophobic surface: 404.218  Hydrophilic surface: 178.665
 
 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.