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CHEMSTAR-ZINC04545169

 MMsINC code: MMs01116583
Type: Neutral
Formula: C19H15ClN2O5
SMILES:   Clc1ccc(cc1C(OC)=O)-c1oc(cc1)\C=N\NC(=O)c1oc(cc1)C
InChI:   InChI=1/C19H15ClN2O5/c1-11-3-7-17(26-11)18(23)22-21-10-13-5-8-16(27-13)12-4-6-15(20)14(9-12)19(24)25-2/h3-10H,1-2H3,(H,22,23)/b21-10+

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Potential Energy
Epot(MMFF94)=98.0408 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.791 g/mol  logS: -6.86588  SlogP: 4.05192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00291092  Sterimol/B1: 2.37857  Sterimol/B2: 2.51214  Sterimol/B3: 5.79876
  Sterimol/B4: 6.59227  Sterimol/L: 20.427 
 
 Surface and Volume Properties
  Accessible surface: 679.942  Positive charged surface: 386.063  Negative charged surface: 293.88  Volume: 342.75
  Hydrophobic surface: 545.576  Hydrophilic surface: 134.366
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.