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ANALYTICONDISCOVERY-ZINC05415508

 MMsINC code: MMs00037289
Type: Neutral
Formula: C19H37N3O3
SMILES:   OCC(NC(=O)CC1CCN(CC1CC)C(=O)NC(C)C)CC(C)C
InChI:   InChI=1/C19H37N3O3/c1-6-15-11-22(19(25)20-14(4)5)8-7-16(15)10-18(24)21-17(12-23)9-13(2)3/h13-17,23H,6-12H2,1-5H3,(H,20,25)(H,21,24)/t15-,16-,17+/m0/s1

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Potential Energy
Epot(MMFF94)=36.6341 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.523 g/mol  logS: -2.90983  SlogP: 2.3658  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0721988  Sterimol/B1: 2.39209  Sterimol/B2: 2.53369  Sterimol/B3: 5.60205
  Sterimol/B4: 7.96278  Sterimol/L: 19.2283 
 
 Surface and Volume Properties
  Accessible surface: 678.417  Positive charged surface: 522.747  Negative charged surface: 155.67  Volume: 377.625
  Hydrophobic surface: 480.678  Hydrophilic surface: 197.739
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.