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PUBCHEM-ZINC02504428

 MMsINC code: MMs02890033
Type: Neutral
Formula: C10H21ClO
SMILES:   ClCCCCCCCCCCO
InChI:   InChI=1/C10H21ClO/c11-9-7-5-3-1-2-4-6-8-10-12/h12H,1-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.43888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.73 g/mol  logS: -3.02124  SlogP: 3.3383  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0293795  Sterimol/B1: 2.3526  Sterimol/B2: 2.37496  Sterimol/B3: 2.37586
  Sterimol/B4: 3.0717  Sterimol/L: 18.0516 
 
 Surface and Volume Properties
  Accessible surface: 467.17  Positive charged surface: 342.248  Negative charged surface: 124.922  Volume: 213.75
  Hydrophobic surface: 340.124  Hydrophilic surface: 127.046
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.