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ENAMINE-ZINC03432922

 MMsINC code: MMs01438697
Type: Neutral
Formula: C18H22FNO3
SMILES:   Fc1ccc(cc1)\C=C\C(OCC(=O)NC1CCCCC1C)=O
InChI:   InChI=1/C18H22FNO3/c1-13-4-2-3-5-16(13)20-17(21)12-23-18(22)11-8-14-6-9-15(19)10-7-14/h6-11,13,16H,2-5,12H2,1H3,(H,20,21)/b11-8+/t13-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=51.8639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.376 g/mol  logS: -4.41289  SlogP: 3.077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0303123  Sterimol/B1: 2.14489  Sterimol/B2: 2.41557  Sterimol/B3: 4.80849
  Sterimol/B4: 6.00765  Sterimol/L: 19.8351 
 
 Surface and Volume Properties
  Accessible surface: 603.677  Positive charged surface: 372.539  Negative charged surface: 231.139  Volume: 310.375
  Hydrophobic surface: 498.548  Hydrophilic surface: 105.129
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.