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ENAMINE-ZINC05859811

 MMsINC code: MMs01642818
Type: Ionized
Formula: C11H21N2O+
SMILES:   O=C(N)CC[NH2+]CCC=1CCCCC=1
InChI:   InChI=1/C11H20N2O/c12-11(14)7-9-13-8-6-10-4-2-1-3-5-10/h4,13H,1-3,5-9H2,(H2,12,14)/p+1

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Potential Energy
Epot(MMFF94)=-0.456726 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.302 g/mol  logS: -1.46092  SlogP: 0.3157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0522865  Sterimol/B1: 3.24907  Sterimol/B2: 3.46362  Sterimol/B3: 3.56147
  Sterimol/B4: 3.91319  Sterimol/L: 15.9702 
 
 Surface and Volume Properties
  Accessible surface: 469.521  Positive charged surface: 377.256  Negative charged surface: 92.2651  Volume: 217.125
  Hydrophobic surface: 309.453  Hydrophilic surface: 160.068
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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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Parent related molecule:


MMs01642817
ENAMINE-ZINC05859811