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ACROSORGANICS-ZINC00128838

 MMsINC code: MMs00004347
Type: Neutral
Formula: C10H9FO3
SMILES:   Fc1ccc(cc1)C(=O)CCC(O)=O
InChI:   InChI=1/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.8117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.177 g/mol  logS: -1.74445  SlogP: 1.8732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0147042  Sterimol/B1: 2.37416  Sterimol/B2: 2.37594  Sterimol/B3: 2.54493
  Sterimol/B4: 5.27365  Sterimol/L: 13.6618 
 
 Surface and Volume Properties
  Accessible surface: 384.496  Positive charged surface: 204.251  Negative charged surface: 180.245  Volume: 173.875
  Hydrophobic surface: 254.407  Hydrophilic surface: 130.089
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00004348
ACROSORGANICS-ZINC00128838