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MAYBRIDGE-ZINC03010505

 MMsINC code: MMs02159873
Type: Neutral
Formula: C12H24N2O3
SMILES:   O(C(C)(C)C)C(=O)NC(CC(C)C)C(=O)NC
InChI:   InChI=1/C12H24N2O3/c1-8(2)7-9(10(15)13-6)14-11(16)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,13,15)(H,14,16)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=45.162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.335 g/mol  logS: -2.55355  SlogP: 1.6718  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0995802  Sterimol/B1: 2.08717  Sterimol/B2: 2.92408  Sterimol/B3: 3.66279
  Sterimol/B4: 7.7989  Sterimol/L: 13.9783 
 
 Surface and Volume Properties
  Accessible surface: 491.368  Positive charged surface: 365.43  Negative charged surface: 125.938  Volume: 256.25
  Hydrophobic surface: 332.892  Hydrophilic surface: 158.476
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.