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ACROSORGANICS-ZINC00154537

 MMsINC code: MMs00004927
Type: Neutral
Formula: C11H12FNO3
SMILES:   Fc1ccc(cc1)CC(NC(=O)C)C(O)=O
InChI:   InChI=1/C11H12FNO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.8921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.219 g/mol  logS: -1.89066  SlogP: 0.95747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156008  Sterimol/B1: 1.99764  Sterimol/B2: 3.19189  Sterimol/B3: 3.70966
  Sterimol/B4: 7.57174  Sterimol/L: 11.4389 
 
 Surface and Volume Properties
  Accessible surface: 423.865  Positive charged surface: 227.299  Negative charged surface: 196.566  Volume: 203.25
  Hydrophobic surface: 298.364  Hydrophilic surface: 125.501
 
 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


MMs00004928
ACROSORGANICS-ZINC00154537