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APOLLO-ZINC00128233

 MMsINC code: MMs00043222
Type: Neutral
Formula: C11H11F2NO3
SMILES:   Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)=O
InChI:   InChI=1/C11H11F2NO3/c1-6(15)14-10(11(16)17)4-7-2-8(12)5-9(13)3-7/h2-3,5,10H,4H2,1H3,(H,14,15)(H,16,17)/t10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.6525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.209 g/mol  logS: -2.18564  SlogP: 1.09657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161971  Sterimol/B1: 1.98079  Sterimol/B2: 3.16296  Sterimol/B3: 3.73797
  Sterimol/B4: 7.57042  Sterimol/L: 11.1806 
 
 Surface and Volume Properties
  Accessible surface: 430.191  Positive charged surface: 215.012  Negative charged surface: 215.18  Volume: 206.625
  Hydrophobic surface: 304.943  Hydrophilic surface: 125.248
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00043223
APOLLO-ZINC00128233