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PUBCHEM-ZINC06179166

 MMsINC code: MMs03584207
Type: Neutral
Formula: C14H21N3O4
SMILES:   O=C1C(C(=O)NC)C(N(C1=O)C1CCCCC1)C(=O)NC
InChI:   InChI=1/C14H21N3O4/c1-15-12(19)9-10(13(20)16-2)17(14(21)11(9)18)8-6-4-3-5-7-8/h8-10H,3-7H2,1-2H3,(H,15,19)(H,16,20)/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=37.3058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.339 g/mol  logS: -1.71007  SlogP: -0.7928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110422  Sterimol/B1: 3.02285  Sterimol/B2: 4.04697  Sterimol/B3: 5.18842
  Sterimol/B4: 5.22119  Sterimol/L: 14.4004 
 
 Surface and Volume Properties
  Accessible surface: 498.671  Positive charged surface: 376.282  Negative charged surface: 122.388  Volume: 275.75
  Hydrophobic surface: 363.958  Hydrophilic surface: 134.713
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.