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ACDBLOCKS-ZINC00018736

MMsINC code: MMs00000001

Type: Neutral
Formula: C11H10FNO2
SMILES:   Fc1cc2cc([nH]c2cc1)C(OCC)=O
InChI:   InChI=1/C11H10FNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=20.5744 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.204 g/mol  logS: -2.83162  SlogP: 2.4837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0105305  Sterimol/B1: 2.37516  Sterimol/B2: 2.37601  Sterimol/B3: 3.25254
  Sterimol/B4: 4.90638  Sterimol/L: 14.534 
 
 Surface and Volume Properties
  Accessible surface: 413.876  Positive charged surface: 232.703  Negative charged surface: 175.818  Volume: 190.125
  Hydrophobic surface: 320.98  Hydrophilic surface: 92.896
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.