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PUBCHEM-ZINC05502078

 MMsINC code: MMs03289286
Type: Neutral
Formula: C10H19NO3
SMILES:   O(C(=O)C(=O)NCCCCCC)CC
InChI:   InChI=1/C10H19NO3/c1-3-5-6-7-8-11-9(12)10(13)14-4-2/h3-8H2,1-2H3,(H,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.3764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -2.57313  SlogP: 1.246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0179089  Sterimol/B1: 2.37526  Sterimol/B2: 2.376  Sterimol/B3: 2.80936
  Sterimol/B4: 3.9164  Sterimol/L: 18.2893 
 
 Surface and Volume Properties
  Accessible surface: 480.802  Positive charged surface: 360.439  Negative charged surface: 120.363  Volume: 212.25
  Hydrophobic surface: 333.929  Hydrophilic surface: 146.873
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.