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NANOSIN-ZINC02023373

 MMsINC code: MMs02201285
Type: Neutral
Formula: C12H27O2P
SMILES:   P(O)(=O)(CCCCCC)CCCCCC
InChI:   InChI=1/C12H27O2P/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2/h3-12H2,1-2H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=-1.28 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.32 g/mol  logS: -3.16092  SlogP: 3.3472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0260012  Sterimol/B1: 2.8261  Sterimol/B2: 3.16487  Sterimol/B3: 3.19814
  Sterimol/B4: 3.66233  Sterimol/L: 20.2 
 
 Surface and Volume Properties
  Accessible surface: 540.985  Positive charged surface: 412.236  Negative charged surface: 128.749  Volume: 261.625
  Hydrophobic surface: 427.049  Hydrophilic surface: 113.936
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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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Ions/Tautomers related molecules


MMs02201286
NANOSIN-ZINC02023373