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ASINEX-ZINC04906060

 MMsINC code: MMs00401259
Type: Neutral
Formula: C13H25N3O4
SMILES:   O(C(C)(C)C)C(=O)NC(C(C)C)C(=O)NC(C(=O)N)C
InChI:   InChI=1/C13H25N3O4/c1-7(2)9(11(18)15-8(3)10(14)17)16-12(19)20-13(4,5)6/h7-9H,1-6H3,(H2,14,17)(H,15,18)(H,16,19)/t8-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=52.0655 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.36 g/mol  logS: -2.33065  SlogP: 0.5257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0867066  Sterimol/B1: 2.60078  Sterimol/B2: 2.77264  Sterimol/B3: 4.59479
  Sterimol/B4: 6.38191  Sterimol/L: 16.0989 
 
 Surface and Volume Properties
  Accessible surface: 534.89  Positive charged surface: 361.364  Negative charged surface: 173.526  Volume: 282.875
  Hydrophobic surface: 267.781  Hydrophilic surface: 267.109
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.