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IBS-ZINC02404679

 MMsINC code: MMs01853071
Type: Neutral
Formula: C14H28N2O3
SMILES:   O(C(=O)C(NC(=O)NC(CCCCC)C)C(C)C)C
InChI:   InChI=1/C14H28N2O3/c1-6-7-8-9-11(4)15-14(18)16-12(10(2)3)13(17)19-5/h10-12H,6-9H2,1-5H3,(H2,15,16,18)/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=19.1818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.389 g/mol  logS: -3.1451  SlogP: 2.452  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.106356  Sterimol/B1: 2.55574  Sterimol/B2: 3.28692  Sterimol/B3: 4.85686
  Sterimol/B4: 7.59783  Sterimol/L: 17.1004 
 
 Surface and Volume Properties
  Accessible surface: 568.602  Positive charged surface: 439.331  Negative charged surface: 129.271  Volume: 292.25
  Hydrophobic surface: 417.112  Hydrophilic surface: 151.49
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.