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ENAMINE-ZINC03592604

 MMsINC code: MMs01519187
Type: Neutral
Formula: C15H25N3O3
SMILES:   O=C1N(CC(=O)NC(CC)C)C(=O)NC12CCC(CC2)C
InChI:   InChI=1/C15H25N3O3/c1-4-11(3)16-12(19)9-18-13(20)15(17-14(18)21)7-5-10(2)6-8-15/h10-11H,4-9H2,1-3H3,(H,16,19)(H,17,21)/t10-,11-,15+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.9857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.383 g/mol  logS: -3.04961  SlogP: 1.4018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0792044  Sterimol/B1: 2.30426  Sterimol/B2: 2.47617  Sterimol/B3: 5.35517
  Sterimol/B4: 5.53792  Sterimol/L: 16.5261 
 
 Surface and Volume Properties
  Accessible surface: 551.68  Positive charged surface: 388.162  Negative charged surface: 163.518  Volume: 291
  Hydrophobic surface: 371.261  Hydrophilic surface: 180.419
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.