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ALFAAESAR-ZINC00034930

 MMsINC code: MMs00019245
Type: Neutral
Formula: C10H8O3
SMILES:   O1c2c(cc(O)cc2)C(=CC1=O)C
InChI:   InChI=1/C10H8O3/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9/h2-5,11H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.4221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.171 g/mol  logS: -2.73945  SlogP: 1.7145  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0207299  Sterimol/B1: 1.99485  Sterimol/B2: 2.35116  Sterimol/B3: 2.39772
  Sterimol/B4: 6.40413  Sterimol/L: 10.0599 
 
 Surface and Volume Properties
  Accessible surface: 351.449  Positive charged surface: 190.273  Negative charged surface: 161.176  Volume: 161.375
  Hydrophobic surface: 234.206  Hydrophilic surface: 117.243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.