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ACROSORGANICS-ZINC01575720

 MMsINC code: MMs00009345
Type: Neutral
Formula: C9H16O
SMILES:   O=C1CCCCCCCC1
InChI:   InChI=1/C9H16O/c10-9-7-5-3-1-2-4-6-8-9/h1-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.4172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.226 g/mol  logS: -2.29899  SlogP: 2.6899  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.33924  Sterimol/B1: 2.23212  Sterimol/B2: 2.86254  Sterimol/B3: 3.41998
  Sterimol/B4: 5.90115  Sterimol/L: 8.63208 
 
 Surface and Volume Properties
  Accessible surface: 323.456  Positive charged surface: 238.75  Negative charged surface: 84.7065  Volume: 157.625
  Hydrophobic surface: 288.572  Hydrophilic surface: 34.884
 
 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.