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CHEMBRIDGE-ZINC00859912

 MMsINC code: MMs00645215
Type: Neutral
Formula: C15H20FNO3
SMILES:   Fc1ccc(cc1)CC(=O)NC(CC(C)C)C(OC)=O
InChI:   InChI=1/C15H20FNO3/c1-10(2)8-13(15(19)20-3)17-14(18)9-11-4-6-12(16)7-5-11/h4-7,10,13H,8-9H2,1-3H3,(H,17,18)/t13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.2658 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.327 g/mol  logS: -3.85505  SlogP: 2.07207  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0936331  Sterimol/B1: 2.55052  Sterimol/B2: 3.05576  Sterimol/B3: 4.04359
  Sterimol/B4: 8.39621  Sterimol/L: 14.7543 
 
 Surface and Volume Properties
  Accessible surface: 544.97  Positive charged surface: 358.743  Negative charged surface: 186.227  Volume: 275.5
  Hydrophobic surface: 447.602  Hydrophilic surface: 97.368
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.