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PUBCHEM-ZINC04603581

 MMsINC code: MMs03140682
Type: Neutral
Formula: C14H27N3O3
SMILES:   O=C(NCC(CCCC)CC)CCC(=O)NCC(=O)N
InChI:   InChI=1/C14H27N3O3/c1-3-5-6-11(4-2)9-16-13(19)7-8-14(20)17-10-12(15)18/h11H,3-10H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=17.1087 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.388 g/mol  logS: -2.76971  SlogP: 0.7007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0240656  Sterimol/B1: 2.16674  Sterimol/B2: 2.56776  Sterimol/B3: 3.58988
  Sterimol/B4: 8.72036  Sterimol/L: 19.7887 
 
 Surface and Volume Properties
  Accessible surface: 607.39  Positive charged surface: 455.515  Negative charged surface: 151.875  Volume: 296
  Hydrophobic surface: 358.376  Hydrophilic surface: 249.014
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.