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PUBCHEM-ZINC06118860

 MMsINC code: MMs03547857
Type: Neutral
Formula: C15H10O3
SMILES:   Oc1c2c(ccc1C(O)=O)cc1c(c2)cccc1
InChI:   InChI=1/C15H10O3/c16-14-12(15(17)18)6-5-11-7-9-3-1-2-4-10(9)8-13(11)14/h1-8,16H,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.2516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.242 g/mol  logS: -4.74809  SlogP: 3.3968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00225185  Sterimol/B1: 2.11654  Sterimol/B2: 2.17843  Sterimol/B3: 4.06658
  Sterimol/B4: 4.49681  Sterimol/L: 14.4396 
 
 Surface and Volume Properties
  Accessible surface: 439.363  Positive charged surface: 223.768  Negative charged surface: 193.453  Volume: 220.25
  Hydrophobic surface: 312.418  Hydrophilic surface: 126.945
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03547858
PUBCHEM-ZINC06118860