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ACROSORGANICS-ZINC03860308

 MMsINC code: MMs00015346
Type: Neutral
Formula: C8H16O
SMILES:   OC1CCCCCCC1
InChI:   InChI=1/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.6366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 128.215 g/mol  logS: -1.88958  SlogP: 2.0916  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.333995  Sterimol/B1: 2.97283  Sterimol/B2: 3.04774  Sterimol/B3: 3.57256
  Sterimol/B4: 4.5572  Sterimol/L: 8.98518 
 
 Surface and Volume Properties
  Accessible surface: 312.78  Positive charged surface: 237.467  Negative charged surface: 75.3129  Volume: 144.75
  Hydrophobic surface: 263.254  Hydrophilic surface: 49.526
 
 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.