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NCID-ZINC01756192

 MMsINC code: MMs02364725
Type: Neutral
Formula: C15H33OP
SMILES:   P(=O)(CCCCC)(CCCCC)CCCCC
InChI:   InChI=1/C15H33OP/c1-4-7-10-13-17(16,14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.50066 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.402 g/mol  logS: -3.78052  SlogP: 4.8499  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0645756  Sterimol/B1: 2.17569  Sterimol/B2: 2.64081  Sterimol/B3: 3.66373
  Sterimol/B4: 9.45809  Sterimol/L: 17.7094 
 
 Surface and Volume Properties
  Accessible surface: 605.626  Positive charged surface: 462.246  Negative charged surface: 143.381  Volume: 307.875
  Hydrophobic surface: 510.889  Hydrophilic surface: 94.737
 
 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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.