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KEYORGANICS-ZINC02569417

 MMsINC code: MMs02110787
Type: Neutral
Formula: C14H11FN2O3
SMILES:   Fc1ccc(NNC(=O)c2ccccc2C(O)=O)cc1
InChI:   InChI=1/C14H11FN2O3/c15-9-5-7-10(8-6-9)16-17-13(18)11-3-1-2-4-12(11)14(19)20/h1-8,16H,(H,17,18)(H,19,20)

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Potential Energy
Epot(MMFF94)=84.9733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.251 g/mol  logS: -3.31654  SlogP: 2.2808  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0494909  Sterimol/B1: 2.52639  Sterimol/B2: 2.66462  Sterimol/B3: 3.55619
  Sterimol/B4: 6.99629  Sterimol/L: 14.6924 
 
 Surface and Volume Properties
  Accessible surface: 486.974  Positive charged surface: 248.807  Negative charged surface: 238.167  Volume: 240.5
  Hydrophobic surface: 354.115  Hydrophilic surface: 132.859
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02110788
KEYORGANICS-ZINC02569417