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NCID-ZINC05217938

 MMsINC code: MMs02450192
Type: Neutral
Formula: C10H18ClNO
SMILES:   ClCCCC(=O)N1CC(CCC1)C
InChI:   InChI=1/C10H18ClNO/c1-9-4-3-7-12(8-9)10(13)5-2-6-11/h9H,2-8H2,1H3/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.773 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.713 g/mol  logS: -1.46201  SlogP: 2.2639  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0699661  Sterimol/B1: 2.54438  Sterimol/B2: 2.68924  Sterimol/B3: 3.36172
  Sterimol/B4: 5.57404  Sterimol/L: 14.1876 
 
 Surface and Volume Properties
  Accessible surface: 429.281  Positive charged surface: 294.96  Negative charged surface: 134.321  Volume: 206.75
  Hydrophobic surface: 304.086  Hydrophilic surface: 125.195
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.