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NCID-ZINC01544157

 MMsINC code: MMs02218958
Type: Neutral
Formula: C15H29N3O5
SMILES:   OC(C(CC(C)C)C(=O)NC(C(C)(C)C)C(=O)NC)C(=O)NO
InChI:   InChI=1/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1

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Potential Energy
Epot(MMFF94)=120.483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.413 g/mol  logS: -2.37696  SlogP: -0.2081  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107911  Sterimol/B1: 2.2451  Sterimol/B2: 3.24307  Sterimol/B3: 3.96729
  Sterimol/B4: 8.08278  Sterimol/L: 14.8867 
 
 Surface and Volume Properties
  Accessible surface: 564.906  Positive charged surface: 378.214  Negative charged surface: 186.692  Volume: 321.875
  Hydrophobic surface: 297.096  Hydrophilic surface: 267.81
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.