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PUBCHEM-ZINC05188429

 MMsINC code: MMs03221802
Type: Neutral
Formula: C6H10ClNO
SMILES:   ClN1CCCCCC1=O
InChI:   InChI=1/C6H10ClNO/c7-8-5-3-1-2-4-6(8)9/h1-5H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 147.605 g/mol  logS: -1.17039  SlogP: 1.5428  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.31675  Sterimol/B1: 2.89575  Sterimol/B2: 2.91174  Sterimol/B3: 3.03516
  Sterimol/B4: 5.48727  Sterimol/L: 9.18429 
 
 Surface and Volume Properties
  Accessible surface: 306.581  Positive charged surface: 173.777  Negative charged surface: 132.804  Volume: 134.875
  Hydrophobic surface: 267.404  Hydrophilic surface: 39.177
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.