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VITASM-ZINC04690058

 MMsINC code: MMs03956974
Type: Neutral
Formula: C11H19NO3
SMILES:   OC(=O)CC(CC(=O)N1CCCC1)(C)C
InChI:   InChI=1/C11H19NO3/c1-11(2,8-10(14)15)7-9(13)12-5-3-4-6-12/h3-8H2,1-2H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=51.5511 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.277 g/mol  logS: -1.20139  SlogP: 1.4998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0871204  Sterimol/B1: 2.36887  Sterimol/B2: 2.43647  Sterimol/B3: 4.41791
  Sterimol/B4: 4.78867  Sterimol/L: 14.0982 
 
 Surface and Volume Properties
  Accessible surface: 429.23  Positive charged surface: 318.946  Negative charged surface: 110.283  Volume: 214.25
  Hydrophobic surface: 297.764  Hydrophilic surface: 131.466
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03956975
VITASM-ZINC04690058