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NCID-ZINC04877389

 MMsINC code: MMs02411384
Type: Neutral
Formula: C18H16O2
SMILES:   OC=1c2c(cccc2)C(=O)C=1c1c(cc(cc1C)C)C
InChI:   InChI=1/C18H16O2/c1-10-8-11(2)15(12(3)9-10)16-17(19)13-6-4-5-7-14(13)18(16)20/h4-9,19H,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.4828 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.324 g/mol  logS: -5.19134  SlogP: 4.23446  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.119125  Sterimol/B1: 4.19623  Sterimol/B2: 4.24964  Sterimol/B3: 4.75677
  Sterimol/B4: 4.75765  Sterimol/L: 14.8113 
 
 Surface and Volume Properties
  Accessible surface: 495.309  Positive charged surface: 279.424  Negative charged surface: 215.885  Volume: 269
  Hydrophobic surface: 428.596  Hydrophilic surface: 66.713
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02411385
NCID-ZINC04877389