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NCID-ZINC01678703

 MMsINC code: MMs02313393
Type: Neutral
Formula: C15H19NO5
SMILES:   O1C2OC(OC2C(O)C1CNC(=O)c1ccccc1)(C)C
InChI:   InChI=1/C15H19NO5/c1-15(2)20-12-11(17)10(19-14(12)21-15)8-16-13(18)9-6-4-3-5-7-9/h3-7,10-12,14,17H,8H2,1-2H3,(H,16,18)/t10-,11-,12+,14+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.8841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.319 g/mol  logS: -2.64518  SlogP: 0.6537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0957854  Sterimol/B1: 3.30103  Sterimol/B2: 3.98376  Sterimol/B3: 4.0591
  Sterimol/B4: 6.82155  Sterimol/L: 15.5835 
 
 Surface and Volume Properties
  Accessible surface: 535.318  Positive charged surface: 339.246  Negative charged surface: 196.072  Volume: 273.875
  Hydrophobic surface: 371.657  Hydrophilic surface: 163.661
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.