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ASINEX-ZINC04861613

 MMsINC code: MMs00388260
Type: Neutral
Formula: C19H16N2O4
SMILES:   O1c2cc(ccc2OC1)CNC(=O)C1=CNc2c(cc(cc2)C)C1=O
InChI:   InChI=1/C19H16N2O4/c1-11-2-4-15-13(6-11)18(22)14(9-20-15)19(23)21-8-12-3-5-16-17(7-12)25-10-24-16/h2-7,9H,8,10H2,1H3,(H,20,22)(H,21,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.0656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.347 g/mol  logS: -4.28674  SlogP: 2.79862  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0459339  Sterimol/B1: 2.10568  Sterimol/B2: 3.70785  Sterimol/B3: 3.8553
  Sterimol/B4: 8.58142  Sterimol/L: 17.037 
 
 Surface and Volume Properties
  Accessible surface: 584.551  Positive charged surface: 361.462  Negative charged surface: 223.089  Volume: 308
  Hydrophobic surface: 432.962  Hydrophilic surface: 151.589
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.