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ACROSORGANICS-ZINC00114295

 MMsINC code: MMs00004058
Type: Neutral
Formula: C10H19NO2
SMILES:   OC(=O)C(N)(CC)C1CCCCC1
InChI:   InChI=1/C10H19NO2/c1-2-10(11,9(12)13)8-6-4-3-5-7-8/h8H,2-7,11H2,1H3,(H,12,13)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=40.3513 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.98109  SlogP: 1.7588  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167584  Sterimol/B1: 2.90894  Sterimol/B2: 3.30395  Sterimol/B3: 3.47716
  Sterimol/B4: 5.64848  Sterimol/L: 11.1344 
 
 Surface and Volume Properties
  Accessible surface: 379.082  Positive charged surface: 280.041  Negative charged surface: 99.0404  Volume: 192
  Hydrophobic surface: 253.781  Hydrophilic surface: 125.301
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.