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ENAMINE-ZINC03514368

MMsINC code: MMs01485145

Type: Neutral
Formula: C18H19NO5
SMILES:   O(C)c1ccccc1NC(=O)C(OC(=O)c1cccc(C)c1O)C
InChI:   InChI=1/C18H19NO5/c1-11-7-6-8-13(16(11)20)18(22)24-12(2)17(21)19-14-9-4-5-10-15(14)23-3/h4-10,12,20H,1-3H3,(H,19,21)/t12-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=106.648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.352 g/mol  logS: -3.93915  SlogP: 2.89322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0315648  Sterimol/B1: 2.46559  Sterimol/B2: 4.05316  Sterimol/B3: 4.15774
  Sterimol/B4: 5.40044  Sterimol/L: 17.8966 
 
 Surface and Volume Properties
  Accessible surface: 595.365  Positive charged surface: 390.35  Negative charged surface: 205.015  Volume: 312.5
  Hydrophobic surface: 477.446  Hydrophilic surface: 117.919
 
 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.