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PUBCHEM-ZINC05957254

 MMsINC code: MMs03460149
Type: Neutral
Formula: C10H21N2O+
SMILES:   O=C(N(C)C)CC[N+]1(CCCC1)C
InChI:   InChI=1/C10H21N2O/c1-11(2)10(13)6-9-12(3)7-4-5-8-12/h4-9H2,1-3H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.7855 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.291 g/mol  logS: 0.14107  SlogP: 0.7051  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129182  Sterimol/B1: 2.82157  Sterimol/B2: 3.45923  Sterimol/B3: 4.20124
  Sterimol/B4: 4.24685  Sterimol/L: 12.848 
 
 Surface and Volume Properties
  Accessible surface: 414.068  Positive charged surface: 370.368  Negative charged surface: 43.6993  Volume: 205.375
  Hydrophobic surface: 352.467  Hydrophilic surface: 61.601
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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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Ions/Tautomers related molecules: no related molecules available.