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PUBCHEM-ZINC06754823

 MMsINC code: MMs03851270
Type: Neutral
Formula: C18H21FN2O5
SMILES:   Fc1ccc(cc1)CNC(=O)C(NC(=O)C=1OC(CC(=O)C=1)(C)C)CO
InChI:   InChI=1/C18H21FN2O5/c1-18(2)8-13(23)7-15(26-18)17(25)21-14(10-22)16(24)20-9-11-3-5-12(19)6-4-11/h3-7,14,22H,8-10H2,1-2H3,(H,20,24)(H,21,25)/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.1599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.373 g/mol  logS: -3.40478  SlogP: 0.8373  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.056245  Sterimol/B1: 2.38135  Sterimol/B2: 3.66632  Sterimol/B3: 5.44642
  Sterimol/B4: 5.9548  Sterimol/L: 19.456 
 
 Surface and Volume Properties
  Accessible surface: 635.691  Positive charged surface: 372.427  Negative charged surface: 263.264  Volume: 331.5
  Hydrophobic surface: 425.077  Hydrophilic surface: 210.614
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.