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NCID-ZINC01643526

 MMsINC code: MMs02284961
Type: Neutral
Formula: C12H24N4O4
SMILES:   OC(=O)CC(N)C(=O)NC(NC(=O)N(C(C)(C)C)C)C
InChI:   InChI=1/C12H24N4O4/c1-7(14-10(19)8(13)6-9(17)18)15-11(20)16(5)12(2,3)4/h7-8H,6,13H2,1-5H3,(H,14,19)(H,15,20)(H,17,18)/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=33.3725 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.348 g/mol  logS: -0.4296  SlogP: -0.3095  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0940922  Sterimol/B1: 1.9794  Sterimol/B2: 3.0174  Sterimol/B3: 4.484
  Sterimol/B4: 7.38476  Sterimol/L: 16.3515 
 
 Surface and Volume Properties
  Accessible surface: 548.846  Positive charged surface: 394.075  Negative charged surface: 154.771  Volume: 276.75
  Hydrophobic surface: 282.973  Hydrophilic surface: 265.873
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.