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PUBCHEM-ZINC00517109

 MMsINC code: MMs02699115
Type: Neutral
Formula: C15H15ClO3
SMILES:   Clc1ccccc1COc1ccc(cc1OC)CO
InChI:   InChI=1/C15H15ClO3/c1-18-15-8-11(9-17)6-7-14(15)19-10-12-4-2-3-5-13(12)16/h2-8,17H,9-10H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.4301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.735 g/mol  logS: -3.75885  SlogP: 3.9527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0153345  Sterimol/B1: 2.39343  Sterimol/B2: 2.47113  Sterimol/B3: 2.96685
  Sterimol/B4: 8.28779  Sterimol/L: 15.6729 
 
 Surface and Volume Properties
  Accessible surface: 524.168  Positive charged surface: 319.928  Negative charged surface: 204.24  Volume: 261.125
  Hydrophobic surface: 449.814  Hydrophilic surface: 74.354
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.