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NCID-ZINC01629812

 MMsINC code: MMs02275207
Type: Neutral
Formula: C10H19O4P
SMILES:   P(OCC)(OCC)(OC#CCCCC)=O
InChI:   InChI=1/C10H19O4P/c1-4-7-8-9-10-14-15(11,12-5-2)13-6-3/h4-8H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-6.41208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.232 g/mol  logS: -2.9358  SlogP: 2.26501  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0418445  Sterimol/B1: 2.39818  Sterimol/B2: 3.8293  Sterimol/B3: 4.11642
  Sterimol/B4: 5.89005  Sterimol/L: 16.9864 
 
 Surface and Volume Properties
  Accessible surface: 517.03  Positive charged surface: 373.129  Negative charged surface: 143.9  Volume: 233.875
  Hydrophobic surface: 379.478  Hydrophilic surface: 137.552
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.