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NCID-ZINC01695946

 MMsINC code: MMs02326772
Type: Neutral
Formula: C11H10O2
SMILES:   O1C(C=CC1=O)c1ccc(cc1)C
InChI:   InChI=1/C11H10O2/c1-8-2-4-9(5-3-8)10-6-7-11(12)13-10/h2-7,10H,1H3/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.2054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.199 g/mol  logS: -2.89519  SlogP: 2.24462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0759806  Sterimol/B1: 3.00906  Sterimol/B2: 3.20779  Sterimol/B3: 3.29171
  Sterimol/B4: 4.43652  Sterimol/L: 11.6655 
 
 Surface and Volume Properties
  Accessible surface: 373.198  Positive charged surface: 195.576  Negative charged surface: 177.623  Volume: 172.375
  Hydrophobic surface: 288.582  Hydrophilic surface: 84.616
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.