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NCID-ZINC01581736

 MMsINC code: MMs02239001
Type: Neutral
Formula: C13H26N2O3
SMILES:   O(C(C)(C)C)C(=O)C(NC(=O)C(N)C)CC(C)C
InChI:   InChI=1/C13H26N2O3/c1-8(2)7-10(15-11(16)9(3)14)12(17)18-13(4,5)6/h8-10H,7,14H2,1-6H3,(H,15,16)/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=72.5217 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.362 g/mol  logS: -2.7309  SlogP: 1.2062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124352  Sterimol/B1: 2.15861  Sterimol/B2: 2.60279  Sterimol/B3: 4.2745
  Sterimol/B4: 8.34129  Sterimol/L: 13.9048 
 
 Surface and Volume Properties
  Accessible surface: 525.57  Positive charged surface: 372.333  Negative charged surface: 153.237  Volume: 274.125
  Hydrophobic surface: 315.878  Hydrophilic surface: 209.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02239002
NCID-ZINC01581736