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ENAMINE-ZINC03562439

 MMsINC code: MMs01509712
Type: Neutral
Formula: C20H13Cl2NO5
SMILES:   Clc1cc(N2C(=O)c3c(ccc(c3)C(OC3CCCC3=O)=O)C2=O)ccc1Cl
InChI:   InChI=1/C20H13Cl2NO5/c21-14-7-5-11(9-15(14)22)23-18(25)12-6-4-10(8-13(12)19(23)26)20(27)28-17-3-1-2-16(17)24/h4-9,17H,1-3H2/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=97.3248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.232 g/mol  logS: -6.37455  SlogP: 4.0724  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0186279  Sterimol/B1: 3.12708  Sterimol/B2: 3.47695  Sterimol/B3: 3.72294
  Sterimol/B4: 6.31499  Sterimol/L: 20.7747 
 
 Surface and Volume Properties
  Accessible surface: 632.786  Positive charged surface: 288.314  Negative charged surface: 344.472  Volume: 343.125
  Hydrophobic surface: 492.402  Hydrophilic surface: 140.384
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.