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CHEMBRIDGE-ZINC02260847

 MMsINC code: MMs00705521
Type: Neutral
Formula: C15H19Cl2NO4
SMILES:   Clc1cc(Cl)ccc1OCC(OC(C(=O)N(CC)CC)C)=O
InChI:   InChI=1/C15H19Cl2NO4/c1-4-18(5-2)15(20)10(3)22-14(19)9-21-13-7-6-11(16)8-12(13)17/h6-8,10H,4-5,9H2,1-3H3/t10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.226 g/mol  logS: -4.36022  SlogP: 3.1723  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0531108  Sterimol/B1: 2.27667  Sterimol/B2: 3.36648  Sterimol/B3: 4.16996
  Sterimol/B4: 6.65099  Sterimol/L: 18.7661 
 
 Surface and Volume Properties
  Accessible surface: 601.851  Positive charged surface: 309.668  Negative charged surface: 292.183  Volume: 311.625
  Hydrophobic surface: 473.812  Hydrophilic surface: 128.039
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.