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NCID-ZINC05758463

 MMsINC code: MMs02494717
Type: Neutral
Formula: C15H29N3O5
SMILES:   OC(=O)C(NC(=O)C(NC(=O)C(N)C(CC)C)CC(C)C)CO
InChI:   InChI=1/C15H29N3O5/c1-5-9(4)12(16)14(21)17-10(6-8(2)3)13(20)18-11(7-19)15(22)23/h8-12,19H,5-7,16H2,1-4H3,(H,17,21)(H,18,20)(H,22,23)/t9-,10+,11+,12-/m1/s1

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Potential Energy
Epot(MMFF94)=90.1936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.413 g/mol  logS: -2.22573  SlogP: -0.5476  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126914  Sterimol/B1: 2.45987  Sterimol/B2: 3.27166  Sterimol/B3: 5.61507
  Sterimol/B4: 6.46953  Sterimol/L: 16.7243 
 
 Surface and Volume Properties
  Accessible surface: 597.861  Positive charged surface: 418.319  Negative charged surface: 179.541  Volume: 323.75
  Hydrophobic surface: 287.355  Hydrophilic surface: 310.506
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.