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NCID-ZINC01575723

 MMsINC code: MMs02234449
Type: Neutral
Formula: C10H16O2
SMILES:   O=C1CCCCCCCCC1=O
InChI:   InChI=1/C10H16O2/c11-9-7-5-3-1-2-4-6-8-10(9)12/h1-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.0454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.236 g/mol  logS: -2.63034  SlogP: 2.259  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.227406  Sterimol/B1: 2.51141  Sterimol/B2: 3.15978  Sterimol/B3: 3.71244
  Sterimol/B4: 5.28279  Sterimol/L: 10.0428 
 
 Surface and Volume Properties
  Accessible surface: 344.654  Positive charged surface: 238.696  Negative charged surface: 105.958  Volume: 173.625
  Hydrophobic surface: 290.346  Hydrophilic surface: 54.308
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.