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AURORAFEINCHEMIE-ZINC05422578

 MMsINC code: MMs00475172
Type: Neutral
Formula: C14H26N2O3
SMILES:   OC(=O)C(NC(=O)NC1CCCCC1C)C(CC)C
InChI:   InChI=1/C14H26N2O3/c1-4-9(2)12(13(17)18)16-14(19)15-11-8-6-5-7-10(11)3/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/t9-,10+,11+,12+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.78653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -2.51905  SlogP: 2.3636  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0649638  Sterimol/B1: 2.75365  Sterimol/B2: 2.76973  Sterimol/B3: 3.7023
  Sterimol/B4: 7.46035  Sterimol/L: 14.9034 
 
 Surface and Volume Properties
  Accessible surface: 531.874  Positive charged surface: 376.416  Negative charged surface: 155.457  Volume: 279.125
  Hydrophobic surface: 355.469  Hydrophilic surface: 176.405
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs00475173
AURORAFEINCHEMIE-ZINC05422578