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PUBCHEM-ZINC03132794

 MMsINC code: MMs02999257
Type: Neutral
Formula: C14H23O2P
SMILES:   P(O)(=O)(C(CCCCCC)C)c1ccccc1
InChI:   InChI=1/C14H23O2P/c1-3-4-5-7-10-13(2)17(15,16)14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3,(H,15,16)/t13-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.4056 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.31 g/mol  logS: -3.75257  SlogP: 2.871  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0525031  Sterimol/B1: 3.38536  Sterimol/B2: 3.40053  Sterimol/B3: 3.65938
  Sterimol/B4: 5.60602  Sterimol/L: 16.9556 
 
 Surface and Volume Properties
  Accessible surface: 516.173  Positive charged surface: 340.957  Negative charged surface: 175.216  Volume: 269
  Hydrophobic surface: 421.196  Hydrophilic surface: 94.977
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.