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ENAMINE-ZINC03440689

 MMsINC code: MMs01443893
Type: Neutral
Formula: C10H7FN2O4
SMILES:   Fc1ccc(cc1)C=1OC(=O)N(N=1)CC(O)=O
InChI:   InChI=1/C10H7FN2O4/c11-7-3-1-6(2-4-7)9-12-13(5-8(14)15)10(16)17-9/h1-4H,5H2,(H,14,15)

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Potential Energy
Epot(MMFF94)=44.9881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.174 g/mol  logS: -2.85571  SlogP: 1.0241  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0405536  Sterimol/B1: 3.09789  Sterimol/B2: 3.1321  Sterimol/B3: 3.22294
  Sterimol/B4: 5.14286  Sterimol/L: 14.0671 
 
 Surface and Volume Properties
  Accessible surface: 419.36  Positive charged surface: 215.244  Negative charged surface: 204.116  Volume: 192.75
  Hydrophobic surface: 233.093  Hydrophilic surface: 186.267
 
 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


MMs01443894
ENAMINE-ZINC03440689