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ACROSORGANICS-ZINC06092788

 MMsINC code: MMs00018829
Type: Neutral
Formula: C19H20O2
SMILES:   Oc1ccc(cc1)C1(C2CC(C1)CC2)c1ccc(O)cc1
InChI:   InChI=1/C19H20O2/c20-17-7-3-14(4-8-17)19(12-13-1-2-16(19)11-13)15-5-9-18(21)10-6-15/h3-10,13,16,20-21H,1-2,11-12H2/t13-,16+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.797 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.367 g/mol  logS: -5.6646  SlogP: 4.2039  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.260829  Sterimol/B1: 2.59634  Sterimol/B2: 4.23354  Sterimol/B3: 4.8089
  Sterimol/B4: 6.57107  Sterimol/L: 12.9558 
 
 Surface and Volume Properties
  Accessible surface: 494.417  Positive charged surface: 323.482  Negative charged surface: 170.935  Volume: 281.75
  Hydrophobic surface: 391.659  Hydrophilic surface: 102.758
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.