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NCID-ZINC01643512

 MMsINC code: MMs02284947
Type: Neutral
Formula: C11H22N4O4
SMILES:   OC(=O)CC(N)C(=O)NC(NC(=O)NC(C)(C)C)C
InChI:   InChI=1/C11H22N4O4/c1-6(14-10(19)15-11(2,3)4)13-9(18)7(12)5-8(16)17/h6-7H,5,12H2,1-4H3,(H,13,18)(H,16,17)(H2,14,15,19)/t6-,7+/m0/s1

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Potential Energy
Epot(MMFF94)=-3.17316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.321 g/mol  logS: -0.53559  SlogP: -0.6517  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.114674  Sterimol/B1: 2.00637  Sterimol/B2: 2.78931  Sterimol/B3: 4.23276
  Sterimol/B4: 8.33491  Sterimol/L: 14.0452 
 
 Surface and Volume Properties
  Accessible surface: 525.359  Positive charged surface: 365.721  Negative charged surface: 159.638  Volume: 261.75
  Hydrophobic surface: 236.338  Hydrophilic surface: 289.021
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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.