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ACROSORGANICS-ZINC01627116

 MMsINC code: MMs00009955
Type: Neutral
Formula: C6H10O
SMILES:   O=C(C)C1(CC1)C
InChI:   InChI=1/C6H10O/c1-5(7)6(2)3-4-6/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.3467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 98.145 g/mol  logS: -0.43988  SlogP: 1.3755  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.254489  Sterimol/B1: 2.80463  Sterimol/B2: 2.89782  Sterimol/B3: 3.36513
  Sterimol/B4: 3.72045  Sterimol/L: 8.31388 
 
 Surface and Volume Properties
  Accessible surface: 284.077  Positive charged surface: 173.943  Negative charged surface: 110.134  Volume: 113.375
  Hydrophobic surface: 208.24  Hydrophilic surface: 75.837
 
 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.