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ENAMINE-ZINC02663815

 MMsINC code: MMs01283972
Type: Neutral
Formula: C19H14N2O6
SMILES:   O1c2cc(ccc2OC1)C(=O)n1ncc(c1)C(=O)c1cc(OC)ccc1O
InChI:   InChI=1/C19H14N2O6/c1-25-13-3-4-15(22)14(7-13)18(23)12-8-20-21(9-12)19(24)11-2-5-16-17(6-11)27-10-26-16/h2-9,22H,10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.678 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.329 g/mol  logS: -3.58648  SlogP: 2.2455  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0560328  Sterimol/B1: 2.39589  Sterimol/B2: 3.6304  Sterimol/B3: 5.71978
  Sterimol/B4: 6.58448  Sterimol/L: 17.7002 
 
 Surface and Volume Properties
  Accessible surface: 606.318  Positive charged surface: 376.068  Negative charged surface: 230.25  Volume: 317.375
  Hydrophobic surface: 404.251  Hydrophilic surface: 202.067
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  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.