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ENAMINE-ZINC05797867

 MMsINC code: MMs01640212
Type: Neutral
Formula: C19H27N3O4
SMILES:   O(C)c1ccc(cc1)C1(NC(=O)N(CC(=O)NC(CCC)C)C1=O)CC
InChI:   InChI=1/C19H27N3O4/c1-5-7-13(3)20-16(23)12-22-17(24)19(6-2,21-18(22)25)14-8-10-15(26-4)11-9-14/h8-11,13H,5-7,12H2,1-4H3,(H,20,23)(H,21,25)/t13-,19+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.8221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.442 g/mol  logS: -3.92573  SlogP: 2.4686  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0767267  Sterimol/B1: 2.91714  Sterimol/B2: 4.92175  Sterimol/B3: 5.85678
  Sterimol/B4: 6.42728  Sterimol/L: 17.5083 
 
 Surface and Volume Properties
  Accessible surface: 651.811  Positive charged surface: 450.772  Negative charged surface: 201.039  Volume: 357
  Hydrophobic surface: 470.262  Hydrophilic surface: 181.549
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.