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CHEMDIV-ZINC00253652

 MMsINC code: MMs00846537
Type: Neutral
Formula: C19H24N2O4
SMILES:   O(C)c1ccc(cc1)CCNC(=O)c1c(C)c([nH]c1C)C(OCC)=O
InChI:   InChI=1/C19H24N2O4/c1-5-25-19(23)17-12(2)16(13(3)21-17)18(22)20-11-10-14-6-8-15(24-4)9-7-14/h6-9,21H,5,10-11H2,1-4H3,(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.2254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.411 g/mol  logS: -3.1897  SlogP: 2.78931  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0223915  Sterimol/B1: 2.44888  Sterimol/B2: 3.86202  Sterimol/B3: 4.56863
  Sterimol/B4: 5.44518  Sterimol/L: 22.4381 
 
 Surface and Volume Properties
  Accessible surface: 661.532  Positive charged surface: 455.371  Negative charged surface: 206.161  Volume: 341.375
  Hydrophobic surface: 523.109  Hydrophilic surface: 138.423
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.