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ASINEX-ZINC03019043

 MMsINC code: MMs00283682
Type: Neutral
Formula: C15H10N2O4
SMILES:   o1c(ccc1C=C1C(=O)NC(=O)NC1=O)-c1ccccc1
InChI:   InChI=1/C15H10N2O4/c18-13-11(14(19)17-15(20)16-13)8-10-6-7-12(21-10)9-4-2-1-3-5-9/h1-8H,(H2,16,17,18,19,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.1534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.255 g/mol  logS: -4.95785  SlogP: 1.696  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0307699  Sterimol/B1: 2.71916  Sterimol/B2: 3.0178  Sterimol/B3: 3.02386
  Sterimol/B4: 6.6823  Sterimol/L: 14.544 
 
 Surface and Volume Properties
  Accessible surface: 481.526  Positive charged surface: 255.134  Negative charged surface: 226.393  Volume: 246.5
  Hydrophobic surface: 297.994  Hydrophilic surface: 183.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.