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ENAMINE-ZINC05505845

 MMsINC code: MMs01617797
Type: Neutral
Formula: C15H15N3O3
SMILES:   O(C(=O)c1ncc(nc1)C)CC(=O)N(C)c1ccccc1
InChI:   InChI=1/C15H15N3O3/c1-11-8-17-13(9-16-11)15(20)21-10-14(19)18(2)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3

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Potential Energy
Epot(MMFF94)=113.177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.303 g/mol  logS: -1.60708  SlogP: 1.60482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0328005  Sterimol/B1: 2.80028  Sterimol/B2: 3.38238  Sterimol/B3: 3.55214
  Sterimol/B4: 5.54457  Sterimol/L: 17.5996 
 
 Surface and Volume Properties
  Accessible surface: 538.224  Positive charged surface: 364.986  Negative charged surface: 173.238  Volume: 271.75
  Hydrophobic surface: 434.786  Hydrophilic surface: 103.438
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.