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PUBCHEM-ZINC04307855

 MMsINC code: MMs03112879
Type: Neutral
Formula: C14H25N3O3
SMILES:   O=C1N(CC(=O)NCCC)C(=O)NC1(CCC(C)C)C
InChI:   InChI=1/C14H25N3O3/c1-5-8-15-11(18)9-17-12(19)14(4,16-13(17)20)7-6-10(2)3/h10H,5-9H2,1-4H3,(H,15,18)(H,16,20)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=15.2224 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.372 g/mol  logS: -3.13789  SlogP: 1.2593  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0515311  Sterimol/B1: 3.22419  Sterimol/B2: 3.56228  Sterimol/B3: 4.41107
  Sterimol/B4: 6.85639  Sterimol/L: 17.1815 
 
 Surface and Volume Properties
  Accessible surface: 558.979  Positive charged surface: 393.163  Negative charged surface: 165.817  Volume: 287
  Hydrophobic surface: 346.412  Hydrophilic surface: 212.567
 
 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.