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NCID-ZINC05735039

 MMsINC code: MMs02492799
Type: Neutral
Formula: C15H27O10P
SMILES:   P(OC(C(OCC)=O)C)(OC(C(OCC)=O)C)(OC(C(OCC)=O)C)=O
InChI:   InChI=1/C15H27O10P/c1-7-20-13(16)10(4)23-26(19,24-11(5)14(17)21-8-2)25-12(6)15(18)22-9-3/h10-12H,7-9H2,1-6H3/t10-,11-,12+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.0353 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.345 g/mol  logS: -3.05371  SlogP: 0.9289  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181376  Sterimol/B1: 2.45021  Sterimol/B2: 4.09226  Sterimol/B3: 6.8289
  Sterimol/B4: 10.4929  Sterimol/L: 16.8197 
 
 Surface and Volume Properties
  Accessible surface: 717.689  Positive charged surface: 485.896  Negative charged surface: 231.794  Volume: 360
  Hydrophobic surface: 471.076  Hydrophilic surface: 246.613
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.