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ENAMINE-ZINC04952637

MMsINC code: MMs01569931

Type: Neutral
Formula: C18H18FNO5
SMILES:   Fc1ccc(cc1)C(NC(=O)COC(=O)c1cc(OC)ccc1O)C
InChI:   InChI=1/C18H18FNO5/c1-11(12-3-5-13(19)6-4-12)20-17(22)10-25-18(23)15-9-14(24-2)7-8-16(15)21/h3-9,11,21H,10H2,1-2H3,(H,20,22)/t11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=83.1299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.342 g/mol  logS: -4.0177  SlogP: 2.6696  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0331858  Sterimol/B1: 2.08518  Sterimol/B2: 3.74459  Sterimol/B3: 5.32197
  Sterimol/B4: 6.366  Sterimol/L: 18.7942 
 
 Surface and Volume Properties
  Accessible surface: 620.354  Positive charged surface: 382.281  Negative charged surface: 238.072  Volume: 316.75
  Hydrophobic surface: 473.868  Hydrophilic surface: 146.486
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.