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IBS-ZINC00536705

 MMsINC code: MMs01749730
Type: Neutral
Formula: C14H26N2O3
SMILES:   OC(=O)C(NC(=O)N1CCCCC1CC)CC(C)C
InChI:   InChI=1/C14H26N2O3/c1-4-11-7-5-6-8-16(11)14(19)15-12(13(17)18)9-10(2)3/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=41.9523 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -2.33673  SlogP: 2.4598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169986  Sterimol/B1: 2.57208  Sterimol/B2: 3.21349  Sterimol/B3: 5.93609
  Sterimol/B4: 7.26474  Sterimol/L: 13.3232 
 
 Surface and Volume Properties
  Accessible surface: 521.455  Positive charged surface: 383.647  Negative charged surface: 137.808  Volume: 275.5
  Hydrophobic surface: 362.535  Hydrophilic surface: 158.92
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01749731
IBS-ZINC00536705