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ACROSORGANICS-ZINC03860298

 MMsINC code: MMs00015340
Type: Neutral
Formula: C7H14O
SMILES:   OC1CCCCCC1
InChI:   InChI=1/C7H14O/c8-7-5-3-1-2-4-6-7/h7-8H,1-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 114.188 g/mol  logS: -1.37436  SlogP: 1.7015  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.30311  Sterimol/B1: 2.48193  Sterimol/B2: 2.94161  Sterimol/B3: 3.56828
  Sterimol/B4: 4.87441  Sterimol/L: 8.76901 
 
 Surface and Volume Properties
  Accessible surface: 295.288  Positive charged surface: 226.187  Negative charged surface: 69.1011  Volume: 129.625
  Hydrophobic surface: 246.059  Hydrophilic surface: 49.229
 
 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.