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NCID-ZINC01597955

 MMsINC code: MMs02251700
Type: Neutral
Formula: C14H12O4
SMILES:   OC(=O)c1cc(c2c(cc(cc2)C)c1C(O)=O)C
InChI:   InChI=1/C14H12O4/c1-7-3-4-9-8(2)6-11(13(15)16)12(14(17)18)10(9)5-7/h3-6H,1-2H3,(H,15,16)(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.0041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.246 g/mol  logS: -4.1494  SlogP: 2.85304  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0313275  Sterimol/B1: 2.83424  Sterimol/B2: 2.90583  Sterimol/B3: 4.44269
  Sterimol/B4: 6.30142  Sterimol/L: 12.9463 
 
 Surface and Volume Properties
  Accessible surface: 441.671  Positive charged surface: 240.251  Negative charged surface: 190.799  Volume: 223.375
  Hydrophobic surface: 279.008  Hydrophilic surface: 162.663
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02251701
NCID-ZINC01597955