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ENAMINE-ZINC06588716

 MMsINC code: MMs01679724
Type: Neutral
Formula: C14H28N3O3+
SMILES:   O(CC)C(=O)N1CCC[NH+](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)/p+1

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Potential Energy
Epot(MMFF94)=30.7813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.396 g/mol  logS: -1.43946  SlogP: -0.3518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107816  Sterimol/B1: 2.44893  Sterimol/B2: 2.71577  Sterimol/B3: 5.26727
  Sterimol/B4: 6.83042  Sterimol/L: 16.1517 
 
 Surface and Volume Properties
  Accessible surface: 560.293  Positive charged surface: 454.005  Negative charged surface: 106.288  Volume: 300.125
  Hydrophobic surface: 419.271  Hydrophilic surface: 141.022
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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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Ions/Tautomers related molecules


MMs01679725
ENAMINE-ZINC06588716