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NCID-ZINC01561202

 MMsINC code: MMs02223418
Type: Neutral
Formula: C11H21NO2
SMILES:   O=C(C(NC(=O)C)CCCCCC)C
InChI:   InChI=1/C11H21NO2/c1-4-5-6-7-8-11(9(2)13)12-10(3)14/h11H,4-8H2,1-3H3,(H,12,14)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=16.0945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -2.69904  SlogP: 2.0505  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0599056  Sterimol/B1: 2.87076  Sterimol/B2: 3.32942  Sterimol/B3: 4.68337
  Sterimol/B4: 5.45043  Sterimol/L: 13.518 
 
 Surface and Volume Properties
  Accessible surface: 474.27  Positive charged surface: 328.667  Negative charged surface: 145.603  Volume: 222.75
  Hydrophobic surface: 375.929  Hydrophilic surface: 98.341
 
 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.