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NCID-ZINC02041987

 MMsINC code: MMs02379158
Type: Neutral
Formula: C14H19NO5
SMILES:   O1C(C)(C)C(=O)NC1c1cc(OC)c(OC)c(OC)c1
InChI:   InChI=1/C14H19NO5/c1-14(2)13(16)15-12(20-14)8-6-9(17-3)11(19-5)10(7-8)18-4/h6-7,12H,1-5H3,(H,15,16)/t12-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.3863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.308 g/mol  logS: -2.50878  SlogP: 1.7315  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0724745  Sterimol/B1: 2.27302  Sterimol/B2: 4.68428  Sterimol/B3: 5.49914
  Sterimol/B4: 6.19254  Sterimol/L: 14.1712 
 
 Surface and Volume Properties
  Accessible surface: 520.378  Positive charged surface: 404.008  Negative charged surface: 116.369  Volume: 265.625
  Hydrophobic surface: 399.387  Hydrophilic surface: 120.991
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.