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ENAMINE-ZINC05797854

 MMsINC code: MMs01640199
Type: Neutral
Formula: C17H23N3O5
SMILES:   O(C)c1ccc(cc1)C1(NC(=O)N(CC(=O)NCCOC)C1=O)CC
InChI:   InChI=1/C17H23N3O5/c1-4-17(12-5-7-13(25-3)8-6-12)15(22)20(16(23)19-17)11-14(21)18-9-10-24-2/h5-8H,4,9-11H2,1-3H3,(H,18,21)(H,19,23)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.3682 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.387 g/mol  logS: -2.69696  SlogP: 0.9264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0707771  Sterimol/B1: 2.28054  Sterimol/B2: 2.45452  Sterimol/B3: 5.5043
  Sterimol/B4: 7.44157  Sterimol/L: 19.4643 
 
 Surface and Volume Properties
  Accessible surface: 615.399  Positive charged surface: 455.629  Negative charged surface: 159.769  Volume: 329.125
  Hydrophobic surface: 462.731  Hydrophilic surface: 152.668
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.