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IBS-ZINC02106306

 MMsINC code: MMs01786395
Type: Ionized
Formula: C14H27N2O3-
SMILES:   O=C([O-])C(NC(=O)NC(CCCC(C)C)C)C(C)C
InChI:   InChI=1/C14H28N2O3/c1-9(2)7-6-8-11(5)15-14(19)16-12(10(3)4)13(17)18/h9-12H,6-8H2,1-5H3,(H,17,18)(H2,15,16,19)/p-1/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=1.12545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.381 g/mol  logS: -3.50844  SlogP: 1.2749  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.113545  Sterimol/B1: 2.19197  Sterimol/B2: 2.74294  Sterimol/B3: 4.97514
  Sterimol/B4: 8.33636  Sterimol/L: 14.6071 
 
 Surface and Volume Properties
  Accessible surface: 555.536  Positive charged surface: 382.239  Negative charged surface: 173.297  Volume: 291.375
  Hydrophobic surface: 347.503  Hydrophilic surface: 208.033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs01786394
IBS-ZINC02106306