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CHEMSTAR-ZINC02004355

 MMsINC code: MMs01079657
Type: Neutral
Formula: C16H14O3
SMILES:   OC(=O)c1ccccc1C(=O)c1ccc(cc1)CC
InChI:   InChI=1/C16H14O3/c1-2-11-7-9-12(10-8-11)15(17)13-5-3-4-6-14(13)16(18)19/h3-10H,2H2,1H3,(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.9922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.285 g/mol  logS: -4.41623  SlogP: 3.17817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147164  Sterimol/B1: 2.51853  Sterimol/B2: 3.51427  Sterimol/B3: 5.44185
  Sterimol/B4: 6.05783  Sterimol/L: 14.057 
 
 Surface and Volume Properties
  Accessible surface: 475.935  Positive charged surface: 269.31  Negative charged surface: 206.625  Volume: 251.25
  Hydrophobic surface: 348.917  Hydrophilic surface: 127.018
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs01079658
CHEMSTAR-ZINC02004355