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AURORAFEINCHEMIE-ZINC05428806

 MMsINC code: MMs00475326
Type: Neutral
Formula: C11H20N2O2
SMILES:   O=C1N(CCCC)C(=O)NC1CC(C)C
InChI:   InChI=1/C11H20N2O2/c1-4-5-6-13-10(14)9(7-8(2)3)12-11(13)15/h8-9H,4-7H2,1-3H3,(H,12,15)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=-3.6362 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.293 g/mol  logS: -2.63811  SlogP: 1.753  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.078815  Sterimol/B1: 2.43471  Sterimol/B2: 3.79353  Sterimol/B3: 3.95719
  Sterimol/B4: 4.94828  Sterimol/L: 14.4551 
 
 Surface and Volume Properties
  Accessible surface: 453.575  Positive charged surface: 318.634  Negative charged surface: 134.942  Volume: 223.625
  Hydrophobic surface: 290.835  Hydrophilic surface: 162.74
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.