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PUBCHEM-ZINC05932806

 MMsINC code: MMs03450747
Type: Neutral
Formula: C11H12Cl2N2O3
SMILES:   Clc1cc2n(cnc2cc1Cl)COC(CO)CO
InChI:   InChI=1/C11H12Cl2N2O3/c12-8-1-10-11(2-9(8)13)15(5-14-10)6-18-7(3-16)4-17/h1-2,5,7,16-17H,3-4,6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.2965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.134 g/mol  logS: -2.61023  SlogP: 1.9368  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0699926  Sterimol/B1: 2.84692  Sterimol/B2: 3.65121  Sterimol/B3: 3.72717
  Sterimol/B4: 5.90384  Sterimol/L: 14.8778 
 
 Surface and Volume Properties
  Accessible surface: 494.628  Positive charged surface: 294.563  Negative charged surface: 200.065  Volume: 241.875
  Hydrophobic surface: 376.526  Hydrophilic surface: 118.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.