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PUBCHEM-ZINC05464427

 MMsINC code: MMs03277216
Type: Neutral
Formula: C9H19NO2
SMILES:   O(C(=O)NC(CCCCC)C)C
InChI:   InChI=1/C9H19NO2/c1-4-5-6-7-8(2)10-9(11)12-3/h8H,4-7H2,1-3H3,(H,10,11)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=-10.3498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.256 g/mol  logS: -2.24178  SlogP: 2.3112  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.056565  Sterimol/B1: 2.58169  Sterimol/B2: 2.97371  Sterimol/B3: 3.42
  Sterimol/B4: 5.79842  Sterimol/L: 13.6441 
 
 Surface and Volume Properties
  Accessible surface: 429.869  Positive charged surface: 340.434  Negative charged surface: 89.4345  Volume: 193.375
  Hydrophobic surface: 330.702  Hydrophilic surface: 99.167
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.