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PUBCHEM-ZINC06425817

 MMsINC code: MMs03725309
Type: Neutral
Formula: C10H19NO2
SMILES:   OC1(CCCCC1)C(NC(=O)C)C
InChI:   InChI=1/C10H19NO2/c1-8(11-9(2)12)10(13)6-4-3-5-7-10/h8,13H,3-7H2,1-2H3,(H,11,12)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=28.8924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.36628  SlogP: 1.2062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121769  Sterimol/B1: 2.12769  Sterimol/B2: 3.16874  Sterimol/B3: 3.40901
  Sterimol/B4: 6.40112  Sterimol/L: 12.1776 
 
 Surface and Volume Properties
  Accessible surface: 395.762  Positive charged surface: 281.136  Negative charged surface: 114.625  Volume: 194.25
  Hydrophobic surface: 311.725  Hydrophilic surface: 84.037
 
 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.