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PUBCHEM-ZINC05887616

 MMsINC code: MMs03429850
Type: Neutral
Formula: C14H25N3O4
SMILES:   O=C(NC)C1N(CCC1)C(=O)C(CCCC)CC(=O)NO
InChI:   InChI=1/C14H25N3O4/c1-3-4-6-10(9-12(18)16-21)14(20)17-8-5-7-11(17)13(19)15-2/h10-11,21H,3-9H2,1-2H3,(H,15,19)(H,16,18)/t10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=65.2471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.371 g/mol  logS: -1.97529  SlogP: 0.4253  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104938  Sterimol/B1: 2.48331  Sterimol/B2: 2.81262  Sterimol/B3: 4.32906
  Sterimol/B4: 9.99951  Sterimol/L: 15.4571 
 
 Surface and Volume Properties
  Accessible surface: 568.601  Positive charged surface: 437.31  Negative charged surface: 131.291  Volume: 293.125
  Hydrophobic surface: 377.96  Hydrophilic surface: 190.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.