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NCID-ZINC01732087

 MMsINC code: MMs02354841
Type: Neutral
Formula: C9H21O4P
SMILES:   P(OCCCC)(OCCCC)(OC)=O
InChI:   InChI=1/C9H21O4P/c1-4-6-8-12-14(10,11-3)13-9-7-5-2/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-13.2278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.237 g/mol  logS: -1.95434  SlogP: 2.3041  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0514209  Sterimol/B1: 2.5258  Sterimol/B2: 2.55489  Sterimol/B3: 4.71453
  Sterimol/B4: 6.34822  Sterimol/L: 17.1414 
 
 Surface and Volume Properties
  Accessible surface: 498.772  Positive charged surface: 376.898  Negative charged surface: 121.874  Volume: 226
  Hydrophobic surface: 395.275  Hydrophilic surface: 103.497
 
 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.