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CHEMBLOCK-ZINC00093087

 MMsINC code: MMs00496662
Type: Neutral
Formula: C11H10F3NO3
SMILES:   FC(F)(F)c1ccc(cc1)C(=O)NCCC(O)=O
InChI:   InChI=1/C11H10F3NO3/c12-11(13,14)8-3-1-7(2-4-8)10(18)15-6-5-9(16)17/h1-4H,5-6H2,(H,15,18)(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.8937 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.199 g/mol  logS: -2.46532  SlogP: 2.2214  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0145718  Sterimol/B1: 2.37395  Sterimol/B2: 2.53999  Sterimol/B3: 2.81612
  Sterimol/B4: 5.25083  Sterimol/L: 15.7248 
 
 Surface and Volume Properties
  Accessible surface: 447.422  Positive charged surface: 201.802  Negative charged surface: 245.62  Volume: 210.5
  Hydrophobic surface: 204.589  Hydrophilic surface: 242.833
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00496663
CHEMBLOCK-ZINC00093087