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PUBCHEM-ZINC06032494

 MMsINC code: MMs03505228
Type: Neutral
Formula: C14H24N4O4
SMILES:   O=C(NC(C(=O)NC(C(=O)NC)C)C)C1N(CCC1)C(=O)C
InChI:   InChI=1/C14H24N4O4/c1-8(12(20)15-4)16-13(21)9(2)17-14(22)11-6-5-7-18(11)10(3)19/h8-9,11H,5-7H2,1-4H3,(H,15,20)(H,16,21)(H,17,22)/t8-,9-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=77.7536 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.37 g/mol  logS: -1.38899  SlogP: -1.2473  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0561119  Sterimol/B1: 2.12431  Sterimol/B2: 2.72274  Sterimol/B3: 5.00804
  Sterimol/B4: 6.10322  Sterimol/L: 17.9031 
 
 Surface and Volume Properties
  Accessible surface: 587.936  Positive charged surface: 430.345  Negative charged surface: 157.591  Volume: 301.625
  Hydrophobic surface: 415.987  Hydrophilic surface: 171.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.