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OTAVA-ZINC05549940

 MMsINC code: MMs02599959
Type: Neutral
Formula: C19H19Cl2NO5
SMILES:   Clc1ccc(Cl)cc1NC(=O)C(OC(=O)COc1ccccc1OCC)C
InChI:   InChI=1/C19H19Cl2NO5/c1-3-25-16-6-4-5-7-17(16)26-11-18(23)27-12(2)19(24)22-15-10-13(20)8-9-14(15)21/h4-10,12H,3,11H2,1-2H3,(H,22,24)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=107.197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.269 g/mol  logS: -6.01324  SlogP: 4.3413  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0316185  Sterimol/B1: 1.969  Sterimol/B2: 2.6558  Sterimol/B3: 4.7756
  Sterimol/B4: 8.74503  Sterimol/L: 19.3071 
 
 Surface and Volume Properties
  Accessible surface: 702.249  Positive charged surface: 362.834  Negative charged surface: 339.415  Volume: 361.375
  Hydrophobic surface: 579.197  Hydrophilic surface: 123.052
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.