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ENAMINE-ZINC03505680

 MMsINC code: MMs01479603
Type: Neutral
Formula: C15H23N3O3
SMILES:   O=C1N(CC(=O)N2CCCCC2C)C(=O)NC12CCCC2
InChI:   InChI=1/C15H23N3O3/c1-11-6-2-5-9-17(11)12(19)10-18-13(20)15(16-14(18)21)7-3-4-8-15/h11H,2-10H2,1H3,(H,16,21)/t11-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.6297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.367 g/mol  logS: -2.13835  SlogP: 1.252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103004  Sterimol/B1: 2.34934  Sterimol/B2: 4.01898  Sterimol/B3: 4.36036
  Sterimol/B4: 6.10337  Sterimol/L: 14.878 
 
 Surface and Volume Properties
  Accessible surface: 519.336  Positive charged surface: 386.887  Negative charged surface: 132.449  Volume: 283.375
  Hydrophobic surface: 400.398  Hydrophilic surface: 118.938
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.