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NCID-ZINC01645019

 MMsINC code: MMs02286000
Type: Neutral
Formula: C15H12N2O4
SMILES:   O=C1C2=C(N(C)C(=O)C=C2C)C(=O)C=2NC(=O)C=C(C1=2)C
InChI:   InChI=1/C15H12N2O4/c1-6-4-8(18)16-12-10(6)14(20)11-7(2)5-9(19)17(3)13(11)15(12)21/h4-5H,1-3H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=84.8348 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.271 g/mol  logS: -3.77327  SlogP: 0.1408  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0181141  Sterimol/B1: 2.37764  Sterimol/B2: 2.37804  Sterimol/B3: 3.35323
  Sterimol/B4: 6.48495  Sterimol/L: 12.8774 
 
 Surface and Volume Properties
  Accessible surface: 447.935  Positive charged surface: 283.12  Negative charged surface: 164.816  Volume: 247.75
  Hydrophobic surface: 296.259  Hydrophilic surface: 151.676
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.