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NCID-ZINC01570995

 MMsINC code: MMs02231207
Type: Neutral
Formula: C13H25NO3
SMILES:   OC(=O)C(NC(=O)C)CCC(CC(C)(C)C)C
InChI:   InChI=1/C13H25NO3/c1-9(8-13(3,4)5)6-7-11(12(16)17)14-10(2)15/h9,11H,6-8H2,1-5H3,(H,14,15)(H,16,17)/t9-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=67.2867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.347 g/mol  logS: -3.90183  SlogP: 2.4282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111126  Sterimol/B1: 1.969  Sterimol/B2: 4.8317  Sterimol/B3: 5.11326
  Sterimol/B4: 5.42609  Sterimol/L: 14.176 
 
 Surface and Volume Properties
  Accessible surface: 505.631  Positive charged surface: 335.213  Negative charged surface: 170.418  Volume: 258.125
  Hydrophobic surface: 308.813  Hydrophilic surface: 196.818
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02231208
NCID-ZINC01570995