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NCID-ZINC01678071

 MMsINC code: MMs02312948
Type: Neutral
Formula: C9H21O4P
SMILES:   P(OC(C)C)(OC(C)C)(OC(C)C)=O
InChI:   InChI=1/C9H21O4P/c1-7(2)11-14(10,12-8(3)4)13-9(5)6/h7-9H,1-6H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.86159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.237 g/mol  logS: -1.8292  SlogP: 2.2993  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169969  Sterimol/B1: 2.11286  Sterimol/B2: 2.35162  Sterimol/B3: 4.80719
  Sterimol/B4: 7.88229  Sterimol/L: 11.9971 
 
 Surface and Volume Properties
  Accessible surface: 462.853  Positive charged surface: 306.339  Negative charged surface: 156.514  Volume: 225.875
  Hydrophobic surface: 301.46  Hydrophilic surface: 161.393
 
 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.