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PUBCHEM-ZINC05632645

 MMsINC code: MMs03330084
Type: Neutral
Formula: C15H24N4O4
SMILES:   OCC(NCC(=O)NCCCNc1ccc([N+](=O)[O-])cc1)(C)C
InChI:   InChI=1/C15H24N4O4/c1-15(2,11-20)18-10-14(21)17-9-3-8-16-12-4-6-13(7-5-12)19(22)23/h4-7,16,18,20H,3,8-11H2,1-2H3,(H,17,21)

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Potential Energy
Epot(MMFF94)=90.5959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.381 g/mol  logS: -2.56473  SlogP: 0.8735  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0182171  Sterimol/B1: 2.39176  Sterimol/B2: 3.14862  Sterimol/B3: 4.62945
  Sterimol/B4: 4.85577  Sterimol/L: 22.2416 
 
 Surface and Volume Properties
  Accessible surface: 618.169  Positive charged surface: 395.673  Negative charged surface: 222.496  Volume: 310.875
  Hydrophobic surface: 376.465  Hydrophilic surface: 241.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs03330085
PUBCHEM-ZINC05632645