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ENAMINE-ZINC06651902

 MMsINC code: MMs01692511
Type: Neutral
Formula: C15H16N2O4
SMILES:   Oc1ccccc1C(=O)c1cn(nc1)C(OC(C)(C)C)=O
InChI:   InChI=1/C15H16N2O4/c1-15(2,3)21-14(20)17-9-10(8-16-17)13(19)11-6-4-5-7-12(11)18/h4-9,18H,1-3H3

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Potential Energy
Epot(MMFF94)=104.085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.303 g/mol  logS: -2.87155  SlogP: 2.6029  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0702601  Sterimol/B1: 2.55254  Sterimol/B2: 3.04248  Sterimol/B3: 4.55578
  Sterimol/B4: 4.91685  Sterimol/L: 16.3592 
 
 Surface and Volume Properties
  Accessible surface: 531.981  Positive charged surface: 314.019  Negative charged surface: 217.962  Volume: 270.25
  Hydrophobic surface: 342.031  Hydrophilic surface: 189.95
 
 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.