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PUBCHEM-ZINC05933622

MMsINC code: MMs03451525

Type: Neutral
Formula: C11H14O3
SMILES:   O1C(COC1Cc1ccccc1)CO
InChI:   InChI=1/C11H14O3/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=53.2176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.23 g/mol  logS: -1.53222  SlogP: 0.96287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0840568  Sterimol/B1: 2.52581  Sterimol/B2: 3.7716  Sterimol/B3: 3.89145
  Sterimol/B4: 4.20415  Sterimol/L: 13.5125 
 
 Surface and Volume Properties
  Accessible surface: 415.354  Positive charged surface: 287.035  Negative charged surface: 128.319  Volume: 192.125
  Hydrophobic surface: 342.998  Hydrophilic surface: 72.356
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.