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PUBCHEM-ZINC00313122

 MMsINC code: MMs02652640
Type: Neutral
Formula: C11H10O3
SMILES:   o1c(c2c(c1C)C(O)=CC=CC2=O)C
InChI:   InChI=1/C11H10O3/c1-6-10-8(12)4-3-5-9(13)11(10)7(2)14-6/h3-5,12H,1-2H3

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Potential Energy
Epot(MMFF94)=54.1265 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.198 g/mol  logS: -2.72334  SlogP: 2.54784  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0276081  Sterimol/B1: 2.32762  Sterimol/B2: 2.51215  Sterimol/B3: 2.51359
  Sterimol/B4: 8.18095  Sterimol/L: 10.3011 
 
 Surface and Volume Properties
  Accessible surface: 370.822  Positive charged surface: 208.662  Negative charged surface: 162.159  Volume: 179.125
  Hydrophobic surface: 296.595  Hydrophilic surface: 74.227
 
 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: no related molecules available.