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AURORAFEINCHEMIE-ZINC05388372

 MMsINC code: MMs00475005
Type: Neutral
Formula: C14H26N2O3
SMILES:   OC(=O)C(NC(=O)NC1CCCCCCC1)C(C)C
InChI:   InChI=1/C14H26N2O3/c1-10(2)12(13(17)18)16-14(19)15-11-8-6-4-3-5-7-9-11/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=71.6802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -2.8325  SlogP: 2.5077  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.087296  Sterimol/B1: 2.52148  Sterimol/B2: 3.36676  Sterimol/B3: 4.82375
  Sterimol/B4: 5.26798  Sterimol/L: 14.6377 
 
 Surface and Volume Properties
  Accessible surface: 515.976  Positive charged surface: 371.78  Negative charged surface: 144.196  Volume: 273.5
  Hydrophobic surface: 357.729  Hydrophilic surface: 158.247
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs00475006
AURORAFEINCHEMIE-ZINC05388372