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AURORAFEINCHEMIE-ZINC04090041

 MMsINC code: MMs00468495
Type: Neutral
Formula: C14H28N2O3
SMILES:   OC(=O)C(NC(=O)NCC(CCCC)CC)C(C)C
InChI:   InChI=1/C14H28N2O3/c1-5-7-8-11(6-2)9-15-14(19)16-12(10(3)4)13(17)18/h10-12H,5-9H2,1-4H3,(H,17,18)(H2,15,16,19)/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=9.05649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.389 g/mol  logS: -3.12255  SlogP: 2.6112  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0642008  Sterimol/B1: 2.22859  Sterimol/B2: 3.83209  Sterimol/B3: 4.06558
  Sterimol/B4: 8.46989  Sterimol/L: 15.9079 
 
 Surface and Volume Properties
  Accessible surface: 575.071  Positive charged surface: 415.973  Negative charged surface: 159.098  Volume: 290.25
  Hydrophobic surface: 362.187  Hydrophilic surface: 212.884
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00468496
AURORAFEINCHEMIE-ZINC04090041