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PUBCHEM-ZINC00408917

 MMsINC code: MMs02677898
Type: Neutral
Formula: C19H15NO4
SMILES:   o1c2c(cc1-c1c(onc1C)-c1ccc(OC)cc1O)cccc2
InChI:   InChI=1/C19H15NO4/c1-11-18(17-9-12-5-3-4-6-16(12)23-17)19(24-20-11)14-8-7-13(22-2)10-15(14)21/h3-10,21H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.658 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.332 g/mol  logS: -6.26874  SlogP: 4.77742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0731272  Sterimol/B1: 2.44859  Sterimol/B2: 3.65023  Sterimol/B3: 3.70256
  Sterimol/B4: 9.5015  Sterimol/L: 12.6577 
 
 Surface and Volume Properties
  Accessible surface: 557.772  Positive charged surface: 339.025  Negative charged surface: 213.841  Volume: 299.75
  Hydrophobic surface: 471.508  Hydrophilic surface: 86.264
 
 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.