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ENAMINE-ZINC06588716

 MMsINC code: MMs01679725
Type: Tautomer
Formula: C14H27N3O3
SMILES:   O(CC)C(=O)N1CCCN(CC1)CC(=O)NC(C)(C)C
InChI:   InChI=1/C14H27N3O3/c1-5-20-13(19)17-8-6-7-16(9-10-17)11-12(18)15-14(2,3)4/h5-11H2,1-4H3,(H,15,18)

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Potential Energy
Epot(MMFF94)=60.5384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.388 g/mol  logS: -1.46385  SlogP: 1.0653  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108734  Sterimol/B1: 2.49519  Sterimol/B2: 2.58259  Sterimol/B3: 5.13311
  Sterimol/B4: 6.93067  Sterimol/L: 15.7937 
 
 Surface and Volume Properties
  Accessible surface: 554.041  Positive charged surface: 449.357  Negative charged surface: 104.684  Volume: 294.25
  Hydrophobic surface: 430.502  Hydrophilic surface: 123.539
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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:


MMs01679724
ENAMINE-ZINC06588716