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NCID-ZINC01848538

 MMsINC code: MMs02371416
Type: Neutral
Formula: C10H20O2
SMILES:   O(C(=O)CCCCCC)CCC
InChI:   InChI=1/C10H20O2/c1-3-5-6-7-8-10(11)12-9-4-2/h3-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.91241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.268 g/mol  logS: -2.7977  SlogP: 2.91  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0243119  Sterimol/B1: 2.37535  Sterimol/B2: 2.3754  Sterimol/B3: 2.57162
  Sterimol/B4: 3.30286  Sterimol/L: 17.1208 
 
 Surface and Volume Properties
  Accessible surface: 451.468  Positive charged surface: 352.253  Negative charged surface: 99.2159  Volume: 198.375
  Hydrophobic surface: 367.47  Hydrophilic surface: 83.998
 
 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.