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PUBCHEM-ZINC03159038

 MMsINC code: MMs03002928
Type: Neutral
Formula: C13H28NO2P
SMILES:   P(OCCCC)(OCCCC)NC1CCCC1
InChI:   InChI=1/C13H28NO2P/c1-3-5-11-15-17(16-12-6-4-2)14-13-9-7-8-10-13/h13-14H,3-12H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.16951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.346 g/mol  logS: -2.50247  SlogP: 4.3789  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0554517  Sterimol/B1: 2.67108  Sterimol/B2: 2.91275  Sterimol/B3: 3.74697
  Sterimol/B4: 8.95496  Sterimol/L: 16.7737 
 
 Surface and Volume Properties
  Accessible surface: 575.496  Positive charged surface: 460.749  Negative charged surface: 114.747  Volume: 285.125
  Hydrophobic surface: 483.957  Hydrophilic surface: 91.539
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: no related molecules available.