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ACROSORGANICS-ZINC01297856

 MMsINC code: MMs00008712
Type: Neutral
Formula: C10H16O
SMILES:   OC12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C10H16O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2/t7-,8+,9-,10-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.6389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.237 g/mol  logS: -2.21448  SlogP: 1.9475  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.770852  Sterimol/B1: 2.42667  Sterimol/B2: 3.21067  Sterimol/B3: 4.55025
  Sterimol/B4: 4.88804  Sterimol/L: 8.47423 
 
 Surface and Volume Properties
  Accessible surface: 321.455  Positive charged surface: 257.562  Negative charged surface: 63.8935  Volume: 159.875
  Hydrophobic surface: 279.545  Hydrophilic surface: 41.91
 
 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.