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AURORAFEINCHEMIE-ZINC05450932

 MMsINC code: MMs00475450
Type: Ionized
Formula: C14H25N2O3S-
SMILES:   S(CCC(NC(=O)NC1CCCCCCC1)C(=O)[O-])C
InChI:   InChI=1/C14H26N2O3S/c1-20-10-9-12(13(17)18)16-14(19)15-11-7-5-3-2-4-6-8-11/h11-12H,2-10H2,1H3,(H,17,18)(H2,15,16,19)/p-1/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=14.6657 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.431 g/mol  logS: -3.55585  SlogP: 1.2701  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0791025  Sterimol/B1: 2.37535  Sterimol/B2: 3.16637  Sterimol/B3: 3.60169
  Sterimol/B4: 9.07096  Sterimol/L: 14.0326 
 
 Surface and Volume Properties
  Accessible surface: 558.876  Positive charged surface: 370.67  Negative charged surface: 188.206  Volume: 296.375
  Hydrophobic surface: 385.88  Hydrophilic surface: 172.996
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  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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MMs00475449
AURORAFEINCHEMIE-ZINC05450932