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PUBCHEM-ZINC05862216

 MMsINC code: MMs03422359
Type: Ionized
Formula: C11H27NO2P+
SMILES:   P(OCC[NH+](C(C)C)C(C)C)(OCC)C
InChI:   InChI=1/C11H26NO2P/c1-7-13-15(6)14-9-8-12(10(2)3)11(4)5/h10-11H,7-9H2,1-6H3/p+1

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Potential Energy
Epot(MMFF94)=32.4257 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.316 g/mol  logS: -1.27041  SlogP: 1.6829  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.171049  Sterimol/B1: 2.13707  Sterimol/B2: 4.01216  Sterimol/B3: 4.52458
  Sterimol/B4: 7.14214  Sterimol/L: 13.303 
 
 Surface and Volume Properties
  Accessible surface: 495.744  Positive charged surface: 394.645  Negative charged surface: 101.099  Volume: 263.5
  Hydrophobic surface: 408.893  Hydrophilic surface: 86.851
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  Chiral centers: 1
 
 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:


MMs03422358
PUBCHEM-ZINC05862216