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ACROSORGANICS-ZINC03882578

 MMsINC code: MMs00016318
Type: Neutral
Formula: C10H14O
SMILES:   O=C1C2CC3CC1CC(C2)C3
InChI:   InChI=1/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2/t6-,7+,8-,9+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.858 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.221 g/mol  logS: -1.98323  SlogP: 2.0116  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.910999  Sterimol/B1: 2.11636  Sterimol/B2: 3.6155  Sterimol/B3: 3.66884
  Sterimol/B4: 6.41852  Sterimol/L: 7.29721 
 
 Surface and Volume Properties
  Accessible surface: 316.073  Positive charged surface: 233.721  Negative charged surface: 82.3522  Volume: 153.125
  Hydrophobic surface: 277.338  Hydrophilic surface: 38.735
 
 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.