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ENAMINE-ZINC03166344

 MMsINC code: MMs01292758
Type: Neutral
Formula: C16H17ClN2O4
SMILES:   Clc1ccccc1NC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChI:   InChI=1/C16H17ClN2O4/c1-21-13-8-10(9-14(22-2)15(13)23-3)18-16(20)19-12-7-5-4-6-11(12)17/h4-9H,1-3H3,(H2,18,19,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.775 g/mol  logS: -4.13748  SlogP: 4.0098  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0526093  Sterimol/B1: 2.55103  Sterimol/B2: 4.06233  Sterimol/B3: 4.12518
  Sterimol/B4: 8.44139  Sterimol/L: 16.4613 
 
 Surface and Volume Properties
  Accessible surface: 584.407  Positive charged surface: 405.779  Negative charged surface: 178.628  Volume: 305
  Hydrophobic surface: 517.307  Hydrophilic surface: 67.1
 
 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.