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ASINEX-ZINC00282598

 MMsINC code: MMs00107701
Type: Neutral
Formula: C14H14O4
SMILES:   o1ccc(COc2cc(C)c(cc2)C)c1C(O)=O
InChI:   InChI=1/C14H14O4/c1-9-3-4-12(7-10(9)2)18-8-11-5-6-17-13(11)14(15)16/h3-7H,8H2,1-2H3,(H,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.0696 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.262 g/mol  logS: -3.87197  SlogP: 3.44004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0108687  Sterimol/B1: 2.38351  Sterimol/B2: 2.51234  Sterimol/B3: 2.90651
  Sterimol/B4: 5.85233  Sterimol/L: 14.3713 
 
 Surface and Volume Properties
  Accessible surface: 478.528  Positive charged surface: 266.605  Negative charged surface: 211.923  Volume: 235.375
  Hydrophobic surface: 370.166  Hydrophilic surface: 108.362
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00107702
ASINEX-ZINC00282598