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IBS-ZINC00537389

 MMsINC code: MMs01749943
Type: Neutral
Formula: C14H26N2O3
SMILES:   OC(=O)C(NC(=O)N1CCCCC1CC)C(CC)C
InChI:   InChI=1/C14H26N2O3/c1-4-10(3)12(13(17)18)15-14(19)16-9-7-6-8-11(16)5-2/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/t10-,11+,12+/m1/s1

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Potential Energy
Epot(MMFF94)=44.2768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -2.02328  SlogP: 2.4598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158142  Sterimol/B1: 2.57404  Sterimol/B2: 3.32338  Sterimol/B3: 5.31129
  Sterimol/B4: 7.06371  Sterimol/L: 13.3992 
 
 Surface and Volume Properties
  Accessible surface: 512.797  Positive charged surface: 373.734  Negative charged surface: 139.063  Volume: 277.25
  Hydrophobic surface: 357.573  Hydrophilic surface: 155.224
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs01749944
IBS-ZINC00537389