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ENAMINE-ZINC03480891

 MMsINC code: MMs01465969
Type: Neutral
Formula: C16H11FN2O3
SMILES:   Fc1ccc(cc1)C(=O)NNC(=O)c1oc2c(c1)cccc2
InChI:   InChI=1/C16H11FN2O3/c17-12-7-5-10(6-8-12)15(20)18-19-16(21)14-9-11-3-1-2-4-13(11)22-14/h1-9H,(H,18,20)(H,19,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.0741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.273 g/mol  logS: -5.47663  SlogP: 2.6467  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.40907e-07  Sterimol/B1: 2.09871  Sterimol/B2: 2.10269  Sterimol/B3: 3.99229
  Sterimol/B4: 4.21039  Sterimol/L: 18.6681 
 
 Surface and Volume Properties
  Accessible surface: 534.069  Positive charged surface: 258.433  Negative charged surface: 269.792  Volume: 263.125
  Hydrophobic surface: 421.364  Hydrophilic surface: 112.705
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.