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NCID-ZINC01643515

 MMsINC code: MMs02284950
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+/m1/s1

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Potential Energy
Epot(MMFF94)=-1.87052 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: 0.122086  Sterimol/B1: 2.00452  Sterimol/B2: 2.62652  Sterimol/B3: 4.3158
  Sterimol/B4: 8.43779  Sterimol/L: 14.0586 
 
 Surface and Volume Properties
  Accessible surface: 526.713  Positive charged surface: 373.149  Negative charged surface: 153.564  Volume: 262.5
  Hydrophobic surface: 237.11  Hydrophilic surface: 289.603
 
 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.