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CHEMSTAR-ZINC04543245

 MMsINC code: MMs01115592
Type: Neutral
Formula: C15H13FN2O2
SMILES:   Fc1ccccc1C(=O)N\N=C\c1ccc(cc1O)C
InChI:   InChI=1/C15H13FN2O2/c1-10-6-7-11(14(19)8-10)9-17-18-15(20)12-4-2-3-5-13(12)16/h2-9,19H,1H3,(H,18,20)/b17-9+

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Potential Energy
Epot(MMFF94)=88.3503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.279 g/mol  logS: -3.9451  SlogP: 2.60362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00339279  Sterimol/B1: 2.17268  Sterimol/B2: 2.51492  Sterimol/B3: 3.7087
  Sterimol/B4: 4.52674  Sterimol/L: 17.4892 
 
 Surface and Volume Properties
  Accessible surface: 511.372  Positive charged surface: 289.713  Negative charged surface: 221.659  Volume: 253.375
  Hydrophobic surface: 407.223  Hydrophilic surface: 104.149
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.