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NCID-ZINC04778065

 MMsINC code: MMs02405264
Type: Neutral
Formula: C16H31N3O4
SMILES:   O(C(=O)C(NC(=O)C(NC(=O)C(N)C(C)C)C(C)C)C(C)C)C
InChI:   InChI=1/C16H31N3O4/c1-8(2)11(17)14(20)18-12(9(3)4)15(21)19-13(10(5)6)16(22)23-7/h8-13H,17H2,1-7H3,(H,18,20)(H,19,21)/t11-,12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=93.9299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.441 g/mol  logS: -2.22746  SlogP: 0.4243  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111562  Sterimol/B1: 2.84847  Sterimol/B2: 3.66854  Sterimol/B3: 4.59645
  Sterimol/B4: 7.63152  Sterimol/L: 16.0828 
 
 Surface and Volume Properties
  Accessible surface: 601.653  Positive charged surface: 440.185  Negative charged surface: 161.469  Volume: 335.125
  Hydrophobic surface: 378.247  Hydrophilic surface: 223.406
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs02405265
NCID-ZINC04778065