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ENAMINE-ZINC04475582

 MMsINC code: MMs01540069
Type: Neutral
Formula: C15H27N3O3
SMILES:   O=C1N(CC(=O)NCC(C)C)C(=O)NC1(CCC)CCC
InChI:   InChI=1/C15H27N3O3/c1-5-7-15(8-6-2)13(20)18(14(21)17-15)10-12(19)16-9-11(3)4/h11H,5-10H2,1-4H3,(H,16,19)(H,17,21)

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Potential Energy
Epot(MMFF94)=12.2319 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.399 g/mol  logS: -3.02621  SlogP: 1.6494  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0598378  Sterimol/B1: 1.9773  Sterimol/B2: 3.66668  Sterimol/B3: 4.22544
  Sterimol/B4: 9.14709  Sterimol/L: 16.4365 
 
 Surface and Volume Properties
  Accessible surface: 575.91  Positive charged surface: 411.525  Negative charged surface: 164.385  Volume: 304.125
  Hydrophobic surface: 379.985  Hydrophilic surface: 195.925
 
 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.