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AURORAFEINCHEMIE-ZINC04089994

 MMsINC code: MMs00468479
Type: Neutral
Formula: C15H28N2O3S
SMILES:   S(CCC(NC(=O)NC1CCCCCCC1)C(OC)=O)C
InChI:   InChI=1/C15H28N2O3S/c1-20-14(18)13(10-11-21-2)17-15(19)16-12-8-6-4-3-5-7-9-12/h12-13H,3-11H2,1-2H3,(H2,16,17,19)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=72.7279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.466 g/mol  logS: -3.70773  SlogP: 2.6932  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0701862  Sterimol/B1: 1.969  Sterimol/B2: 3.59443  Sterimol/B3: 3.60628
  Sterimol/B4: 10.4264  Sterimol/L: 14.7431 
 
 Surface and Volume Properties
  Accessible surface: 607.209  Positive charged surface: 442.149  Negative charged surface: 165.06  Volume: 312.5
  Hydrophobic surface: 488.73  Hydrophilic surface: 118.479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.