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AURORAFEINCHEMIE-ZINC04029489

 MMsINC code: MMs00463460
Type: Neutral
Formula: C10H18O
SMILES:   O1CC2C(CC1(CC2C)C)C
InChI:   InChI=1/C10H18O/c1-7-4-10(3)5-8(2)9(7)6-11-10/h7-9H,4-6H2,1-3H3/t7-,8+,9-,10+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.9284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -2.27192  SlogP: 2.4575  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.346043  Sterimol/B1: 2.60258  Sterimol/B2: 3.19323  Sterimol/B3: 3.4878
  Sterimol/B4: 6.00422  Sterimol/L: 9.74576 
 
 Surface and Volume Properties
  Accessible surface: 346.873  Positive charged surface: 268.905  Negative charged surface: 77.9681  Volume: 172
  Hydrophobic surface: 279.811  Hydrophilic surface: 67.062
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.