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ENAMINE-ZINC06049266

 MMsINC code: MMs01651047
Type: Ionized
Formula: C17H10NO4-
SMILES:   O1C(=N\C(=C\c2ccc(cc2)C(=O)[O-])\C1=O)c1ccccc1
InChI:   InChI=1/C17H11NO4/c19-16(20)13-8-6-11(7-9-13)10-14-17(21)22-15(18-14)12-4-2-1-3-5-12/h1-10H,(H,19,20)/p-1/b14-10-

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Potential Energy
Epot(MMFF94)=67.2092 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.27 g/mol  logS: -5.28686  SlogP: 1.3946  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0300641  Sterimol/B1: 2.65511  Sterimol/B2: 3.17876  Sterimol/B3: 3.42684
  Sterimol/B4: 7.56444  Sterimol/L: 16.0257 
 
 Surface and Volume Properties
  Accessible surface: 524.022  Positive charged surface: 246.097  Negative charged surface: 277.925  Volume: 267.25
  Hydrophobic surface: 358.328  Hydrophilic surface: 165.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs01651046
ENAMINE-ZINC06049266