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PUBCHEM-ZINC03581027

 MMsINC code: MMs03016937
Type: Neutral
Formula: C12H24N4O5
SMILES:   OC(NO)C(CC(C)C)C(=O)NC(C(=O)NCC(=O)N)C
InChI:   InChI=1/C12H24N4O5/c1-6(2)4-8(12(20)16-21)11(19)15-7(3)10(18)14-5-9(13)17/h6-8,12,16,20-21H,4-5H2,1-3H3,(H2,13,17)(H,14,18)(H,15,19)/t7-,8+,12-/m0/s1

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Potential Energy
Epot(MMFF94)=60.8839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.347 g/mol  logS: -1.34374  SlogP: -1.9479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0994774  Sterimol/B1: 2.00866  Sterimol/B2: 3.19595  Sterimol/B3: 5.69202
  Sterimol/B4: 6.52171  Sterimol/L: 16.3828 
 
 Surface and Volume Properties
  Accessible surface: 556.493  Positive charged surface: 386.708  Negative charged surface: 169.785  Volume: 286.375
  Hydrophobic surface: 224.996  Hydrophilic surface: 331.497
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.