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PUBCHEM-ZINC05966468

 MMsINC code: MMs03466260
Type: Neutral
Formula: C11H23N3O3
SMILES:   OC(=O)C(NC(=O)NCCCN(CC)CC)C
InChI:   InChI=1/C11H23N3O3/c1-4-14(5-2)8-6-7-12-11(17)13-9(3)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)(H2,12,13,17)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=-3.61625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.323 g/mol  logS: -0.68146  SlogP: 0.4906  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0354521  Sterimol/B1: 2.50342  Sterimol/B2: 2.66613  Sterimol/B3: 3.63274
  Sterimol/B4: 6.23375  Sterimol/L: 16.4989 
 
 Surface and Volume Properties
  Accessible surface: 532.363  Positive charged surface: 393.47  Negative charged surface: 138.893  Volume: 250.75
  Hydrophobic surface: 308.564  Hydrophilic surface: 223.799
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.