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OAKWOOD-ZINC02569644

 MMsINC code: MMs02546375
Type: Neutral
Formula: C11H14O3
SMILES:   OC(C(Cc1ccccc1)C(O)=O)C
InChI:   InChI=1/C11H14O3/c1-8(12)10(11(13)14)7-9-5-3-2-4-6-9/h2-6,8,10,12H,7H2,1H3,(H,13,14)/t8-,10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.458 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.23 g/mol  logS: -1.2969  SlogP: 1.31067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118084  Sterimol/B1: 2.35026  Sterimol/B2: 3.55952  Sterimol/B3: 4.14679
  Sterimol/B4: 4.2569  Sterimol/L: 12.3799 
 
 Surface and Volume Properties
  Accessible surface: 389.22  Positive charged surface: 246.006  Negative charged surface: 143.214  Volume: 191.75
  Hydrophobic surface: 275.204  Hydrophilic surface: 114.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02546376
OAKWOOD-ZINC02569644