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ASINEX-ZINC00146182

MMsINC code: MMs00082383

Type: Neutral
Formula: C10H10FNO3
SMILES:   Fc1ccc(cc1)C(=O)NC(C(O)=O)C
InChI:   InChI=1/C10H10FNO3/c1-6(10(14)15)12-9(13)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)(H,14,15)/t6-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=36.4505 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.192 g/mol  logS: -2.14904  SlogP: 1.0286  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0550307  Sterimol/B1: 2.2954  Sterimol/B2: 2.75666  Sterimol/B3: 3.61077
  Sterimol/B4: 4.87267  Sterimol/L: 13.2202 
 
 Surface and Volume Properties
  Accessible surface: 406.381  Positive charged surface: 214.701  Negative charged surface: 191.68  Volume: 186.875
  Hydrophobic surface: 257.06  Hydrophilic surface: 149.321
 
 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


MMs00082384
ASINEX-ZINC00146182