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NCID-ZINC05215426

 MMsINC code: MMs02449598
Type: Neutral
Formula: C18H37OP
SMILES:   P(=O)(CCCCCC)(CCCCCC)C1CCCCC1
InChI:   InChI=1/C18H37OP/c1-3-5-7-12-16-20(19,17-13-8-6-4-2)18-14-10-9-11-15-18/h18H,3-17H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.2641 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.467 g/mol  logS: -4.72268  SlogP: 5.7726  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0535684  Sterimol/B1: 2.96625  Sterimol/B2: 3.24895  Sterimol/B3: 4.11133
  Sterimol/B4: 7.63015  Sterimol/L: 20.1784 
 
 Surface and Volume Properties
  Accessible surface: 641.008  Positive charged surface: 502.871  Negative charged surface: 138.138  Volume: 345.75
  Hydrophobic surface: 572.281  Hydrophilic surface: 68.727
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.