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PUBCHEM-ZINC05468900

 MMsINC code: MMs03278602
Type: Neutral
Formula: C11H14FNO2
SMILES:   Fc1cc(ccc1)C(=O)NC(CC)CO
InChI:   InChI=1/C11H14FNO2/c1-2-10(7-14)13-11(15)8-4-3-5-9(12)6-8/h3-6,10,14H,2,7H2,1H3,(H,13,15)/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.5564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.236 g/mol  logS: -2.15243  SlogP: 1.3264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0810081  Sterimol/B1: 2.06377  Sterimol/B2: 2.33138  Sterimol/B3: 3.80395
  Sterimol/B4: 6.29442  Sterimol/L: 12.2597 
 
 Surface and Volume Properties
  Accessible surface: 417.949  Positive charged surface: 264.128  Negative charged surface: 153.821  Volume: 201.375
  Hydrophobic surface: 329.074  Hydrophilic surface: 88.875
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.