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PUBCHEM-ZINC06038043

 MMsINC code: MMs03508138
Type: Neutral
Formula: C12H11FN2O3
SMILES:   Fc1cc2c(OC(CC23NC(=O)NC3=O)C)cc1
InChI:   InChI=1/C12H11FN2O3/c1-6-5-12(10(16)14-11(17)15-12)8-4-7(13)2-3-9(8)18-6/h2-4,6H,5H2,1H3,(H2,14,15,16,17)/t6-,12+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.7898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.229 g/mol  logS: -2.93156  SlogP: 1.3429  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170751  Sterimol/B1: 3.2709  Sterimol/B2: 3.5434  Sterimol/B3: 4.05357
  Sterimol/B4: 7.38611  Sterimol/L: 11.4063 
 
 Surface and Volume Properties
  Accessible surface: 411.078  Positive charged surface: 228.489  Negative charged surface: 182.589  Volume: 208.875
  Hydrophobic surface: 246.166  Hydrophilic surface: 164.912
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.