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VITASM-ZINC04691094

 MMsINC code: MMs03957266
Type: Neutral
Formula: C19H35NO3
SMILES:   OC(=O)CC(CC(=O)NC1CCCCCCCCCCC1)(C)C
InChI:   InChI=1/C19H35NO3/c1-19(2,15-18(22)23)14-17(21)20-16-12-10-8-6-4-3-5-7-9-11-13-16/h16H,3-15H2,1-2H3,(H,20,21)(H,22,23)

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Potential Energy
Epot(MMFF94)=114.317 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.493 g/mol  logS: -5.31746  SlogP: 4.6669  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0874969  Sterimol/B1: 2.11117  Sterimol/B2: 4.51099  Sterimol/B3: 5.38301
  Sterimol/B4: 5.39848  Sterimol/L: 17.5621 
 
 Surface and Volume Properties
  Accessible surface: 589.246  Positive charged surface: 431.491  Negative charged surface: 157.755  Volume: 350.625
  Hydrophobic surface: 454.808  Hydrophilic surface: 134.438
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 0
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Ions/Tautomers related molecules


MMs03957267
VITASM-ZINC04691094