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ENAMINE-ZINC03248239

 MMsINC code: MMs01329125
Type: Neutral
Formula: C16H14Cl2N2O5
SMILES:   Clc1cc(cnc1Cl)C(OCC(=O)Nc1cc(OC)ccc1OC)=O
InChI:   InChI=1/C16H14Cl2N2O5/c1-23-10-3-4-13(24-2)12(6-10)20-14(21)8-25-16(22)9-5-11(17)15(18)19-7-9/h3-7H,8H2,1-2H3,(H,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.203 g/mol  logS: -4.3855  SlogP: 3.2011  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.014038  Sterimol/B1: 2.55765  Sterimol/B2: 2.74886  Sterimol/B3: 3.15452
  Sterimol/B4: 9.30921  Sterimol/L: 18.0282 
 
 Surface and Volume Properties
  Accessible surface: 623.957  Positive charged surface: 372  Negative charged surface: 251.957  Volume: 320.375
  Hydrophobic surface: 503.606  Hydrophilic surface: 120.351
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.