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AURORAFEINCHEMIE-ZINC02211027

 MMsINC code: MMs00452072
Type: Neutral
Formula: C11H20N2O3
SMILES:   O(C(=O)C(NC(=O)NCC=C)CC(C)C)C
InChI:   InChI=1/C11H20N2O3/c1-5-6-12-11(15)13-9(7-8(2)3)10(14)16-4/h5,8-9H,1,6-7H2,2-4H3,(H2,12,13,15)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=5.29903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -2.06815  SlogP: 1.0593  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.098027  Sterimol/B1: 2.50945  Sterimol/B2: 2.56242  Sterimol/B3: 4.23412
  Sterimol/B4: 8.74748  Sterimol/L: 13.6796 
 
 Surface and Volume Properties
  Accessible surface: 504.786  Positive charged surface: 357.349  Negative charged surface: 147.437  Volume: 238.25
  Hydrophobic surface: 315.774  Hydrophilic surface: 189.012
 
 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.