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PUBCHEM-ZINC05973745

 MMsINC code: MMs03469342
Type: Neutral
Formula: C15H33O2P
SMILES:   P(CCCC)(CCCC)(CCCC)CCC(O)=O
InChI:   InChI=1/C15H33O2P/c1-4-7-11-18(12-8-5-2,13-9-6-3)14-10-15(16)17/h18H,4-14H2,1-3H3,(H,16,17)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.401 g/mol  logS: -2.61267  SlogP: 4.6113  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.457101  Sterimol/B1: 2.27226  Sterimol/B2: 3.77947  Sterimol/B3: 6.99795
  Sterimol/B4: 9.36262  Sterimol/L: 12.8296 
 
 Surface and Volume Properties
  Accessible surface: 601.06  Positive charged surface: 452.334  Negative charged surface: 148.726  Volume: 313.125
  Hydrophobic surface: 428.045  Hydrophilic surface: 173.015
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0
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Ions/Tautomers related molecules


MMs03469343
PUBCHEM-ZINC05973745