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MAYBRIDGE-ZINC04344322

 MMsINC code: MMs02169722
Type: Neutral
Formula: C12H24N2O3
SMILES:   O(C(C)(C)C)C(=O)NC(C(CC)C)C(=O)NC
InChI:   InChI=1/C12H24N2O3/c1-7-8(2)9(10(15)13-6)14-11(16)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,13,15)(H,14,16)/t8-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=43.1026 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.335 g/mol  logS: -2.2401  SlogP: 1.6718  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158526  Sterimol/B1: 2.11172  Sterimol/B2: 2.19809  Sterimol/B3: 5.32284
  Sterimol/B4: 6.75958  Sterimol/L: 14.0549 
 
 Surface and Volume Properties
  Accessible surface: 487.159  Positive charged surface: 365.755  Negative charged surface: 121.404  Volume: 256.125
  Hydrophobic surface: 330.461  Hydrophilic surface: 156.698
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.