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NCID-ZINC01724335

 MMsINC code: MMs02348338
Type: Neutral
Formula: C14H23N3O4
SMILES:   OC(=O)C1(NC(=O)C2(NC(=O)CN)CCCC2)CCCC1
InChI:   InChI=1/C14H23N3O4/c15-9-10(18)16-13(5-1-2-6-13)11(19)17-14(12(20)21)7-3-4-8-14/h1-9,15H2,(H,16,18)(H,17,19)(H,20,21)

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Potential Energy
Epot(MMFF94)=105.915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.355 g/mol  logS: -1.53472  SlogP: -0.1123  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.223491  Sterimol/B1: 3.1822  Sterimol/B2: 3.95247  Sterimol/B3: 4.34474
  Sterimol/B4: 8.24218  Sterimol/L: 12.3633 
 
 Surface and Volume Properties
  Accessible surface: 514.365  Positive charged surface: 383.316  Negative charged surface: 131.049  Volume: 280.625
  Hydrophobic surface: 350.647  Hydrophilic surface: 163.718
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.