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NCID-ZINC01665181

 MMsINC code: MMs02301341
Type: Neutral
Formula: C10H19NO2
SMILES:   OC(=O)C1(N)CCCC1CCCC
InChI:   InChI=1/C10H19NO2/c1-2-3-5-8-6-4-7-10(8,11)9(12)13/h8H,2-7,11H2,1H3,(H,12,13)/t8-,10+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.2322 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: 0.145055  Sterimol/B1: 3.52128  Sterimol/B2: 3.60294  Sterimol/B3: 3.84052
  Sterimol/B4: 4.40536  Sterimol/L: 12.0695 
 
 Surface and Volume Properties
  Accessible surface: 403.978  Positive charged surface: 300.903  Negative charged surface: 103.075  Volume: 196.25
  Hydrophobic surface: 261.223  Hydrophilic surface: 142.755
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.