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MAYBRIDGE-ZINC00109963

 MMsINC code: MMs02133233
Type: Neutral
Formula: C19H25N3O3
SMILES:   O(C(=O)c1c(n(nc1C)-c1ccc(NC(=O)C(C)(C)C)cc1)C)CC
InChI:   InChI=1/C19H25N3O3/c1-7-25-17(23)16-12(2)21-22(13(16)3)15-10-8-14(9-11-15)20-18(24)19(4,5)6/h8-11H,7H2,1-6H3,(H,20,24)

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Potential Energy
Epot(MMFF94)=96.1166 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.427 g/mol  logS: -3.68927  SlogP: 3.65044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0550596  Sterimol/B1: 2.23144  Sterimol/B2: 2.30319  Sterimol/B3: 5.40131
  Sterimol/B4: 7.24122  Sterimol/L: 19.3201 
 
 Surface and Volume Properties
  Accessible surface: 653.32  Positive charged surface: 407.171  Negative charged surface: 246.15  Volume: 345.625
  Hydrophobic surface: 503.769  Hydrophilic surface: 149.551
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.