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PUBCHEM-ZINC00384412

 MMsINC code: MMs02668990
Type: Neutral
Formula: C17H20O4
SMILES:   O(C)c1cc(ccc1OC)C(O)Cc1ccc(OC)cc1
InChI:   InChI=1/C17H20O4/c1-19-14-7-4-12(5-8-14)10-15(18)13-6-9-16(20-2)17(11-13)21-3/h4-9,11,15,18H,10H2,1-3H3/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.8752 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.343 g/mol  logS: -3.13641  SlogP: 3.08397  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0228429  Sterimol/B1: 2.93225  Sterimol/B2: 3.16556  Sterimol/B3: 4.89681
  Sterimol/B4: 5.08974  Sterimol/L: 18.3172 
 
 Surface and Volume Properties
  Accessible surface: 554.557  Positive charged surface: 412.061  Negative charged surface: 142.496  Volume: 291.375
  Hydrophobic surface: 495.797  Hydrophilic surface: 58.76
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.