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NCID-ZINC01584043

MMsINC code: MMs02240796

Type: Neutral
Formula: C10H11ClO3
SMILES:   ClCCOC(=O)c1ccc(OC)cc1
InChI:   InChI=1/C10H11ClO3/c1-13-9-4-2-8(3-5-9)10(12)14-7-6-11/h2-5H,6-7H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=46.4764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.648 g/mol  logS: -2.58227  SlogP: 2.0908  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0222164  Sterimol/B1: 2.42726  Sterimol/B2: 3.00536  Sterimol/B3: 3.47261
  Sterimol/B4: 5.48505  Sterimol/L: 14.1706 
 
 Surface and Volume Properties
  Accessible surface: 426.787  Positive charged surface: 262.749  Negative charged surface: 164.038  Volume: 196.125
  Hydrophobic surface: 313.952  Hydrophilic surface: 112.835
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.