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ASINEX-ZINC00238936

 MMsINC code: MMs00096564
Type: Neutral
Formula: C13H23NO3
SMILES:   OC(=O)C1(CCC(C(=O)NC(C)C)C1(C)C)C
InChI:   InChI=1/C13H23NO3/c1-8(2)14-10(15)9-6-7-13(5,11(16)17)12(9,3)4/h8-9H,6-7H2,1-5H3,(H,14,15)(H,16,17)/t9-,13-/m1/s1

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Potential Energy
Epot(MMFF94)=61.2339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.331 g/mol  logS: -1.91269  SlogP: 2.0381  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18833  Sterimol/B1: 2.57781  Sterimol/B2: 3.88577  Sterimol/B3: 4.38676
  Sterimol/B4: 4.57979  Sterimol/L: 12.682 
 
 Surface and Volume Properties
  Accessible surface: 450.566  Positive charged surface: 305.958  Negative charged surface: 144.608  Volume: 248.25
  Hydrophobic surface: 272.795  Hydrophilic surface: 177.771
 
 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


MMs00096565
ASINEX-ZINC00238936