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AURORAFEINCHEMIE-ZINC01557511

 MMsINC code: MMs00448539
Type: Neutral
Formula: C11H12O
SMILES:   OC1(C2CC1C2)c1ccccc1
InChI:   InChI=1/C11H12O/c12-11(9-6-10(11)7-9)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10+,11-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.754 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.216 g/mol  logS: -2.00978  SlogP: 2.2255  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170356  Sterimol/B1: 2.99662  Sterimol/B2: 3.50569  Sterimol/B3: 3.74616
  Sterimol/B4: 3.9496  Sterimol/L: 11.0087 
 
 Surface and Volume Properties
  Accessible surface: 352.855  Positive charged surface: 117.509  Negative charged surface: 90.173  Volume: 168.25
  Hydrophobic surface: 313.655  Hydrophilic surface: 39.2
 
 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.