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PUBCHEM-ZINC03099494

 MMsINC code: MMs02993433
Type: Neutral
Formula: C13H29O2P
SMILES:   P(=O)(CCCCCC)(CCCCCC)CO
InChI:   InChI=1/C13H29O2P/c1-3-5-7-9-11-16(15,13-14)12-10-8-6-4-2/h14H,3-13H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.1487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.347 g/mol  logS: -2.7545  SlogP: 3.3897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0321467  Sterimol/B1: 3.07113  Sterimol/B2: 3.13627  Sterimol/B3: 3.51314
  Sterimol/B4: 4.77567  Sterimol/L: 20.2 
 
 Surface and Volume Properties
  Accessible surface: 569.426  Positive charged surface: 449.371  Negative charged surface: 120.055  Volume: 281.125
  Hydrophobic surface: 452.914  Hydrophilic surface: 116.512
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.