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ACROSORGANICS-ZINC01482164

 MMsINC code: MMs00008783
Type: Neutral
Formula: C10H20O
SMILES:   OC1CC(CCC1C(C)C)C
InChI:   InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.7419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.269 g/mol  logS: -2.60657  SlogP: 2.4395  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179042  Sterimol/B1: 3.15363  Sterimol/B2: 3.36172  Sterimol/B3: 3.45104
  Sterimol/B4: 4.97187  Sterimol/L: 11.1619 
 
 Surface and Volume Properties
  Accessible surface: 371.903  Positive charged surface: 283.932  Negative charged surface: 87.9704  Volume: 182.75
  Hydrophobic surface: 268.601  Hydrophilic surface: 103.302
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.