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NCID-ZINC04896761

 MMsINC code: MMs02413802
Type: Neutral
Formula: C10H19ClN2O
SMILES:   ClCCNC(=O)NC1CCCCCC1
InChI:   InChI=1/C10H19ClN2O/c11-7-8-12-10(14)13-9-5-3-1-2-4-6-9/h9H,1-8H2,(H2,12,13,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.54969 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.728 g/mol  logS: -2.35597  SlogP: 2.2472  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0769074  Sterimol/B1: 2.39478  Sterimol/B2: 3.06003  Sterimol/B3: 3.78725
  Sterimol/B4: 4.90084  Sterimol/L: 14.8904 
 
 Surface and Volume Properties
  Accessible surface: 450.892  Positive charged surface: 311.616  Negative charged surface: 139.276  Volume: 217
  Hydrophobic surface: 314.633  Hydrophilic surface: 136.259
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.