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APOLLO-ZINC02158807

 MMsINC code: MMs00050780
Type: Neutral
Formula: C19H13Cl2NO5
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(Oc1c(cccc1OC)C=O)=O
InChI:   InChI=1/C19H13Cl2NO5/c1-10-15(17(22-27-10)16-12(20)6-4-7-13(16)21)19(24)26-18-11(9-23)5-3-8-14(18)25-2/h3-9H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.12 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.221 g/mol  logS: -6.37893  SlogP: 4.99712  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0807198  Sterimol/B1: 2.48077  Sterimol/B2: 4.36088  Sterimol/B3: 4.65254
  Sterimol/B4: 9.65712  Sterimol/L: 13.5662 
 
 Surface and Volume Properties
  Accessible surface: 570.651  Positive charged surface: 272.144  Negative charged surface: 298.506  Volume: 338
  Hydrophobic surface: 490.039  Hydrophilic surface: 80.612
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.