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NCID-ZINC01735299

 MMsINC code: MMs02357384
Type: Neutral
Formula: C9H21O4P
SMILES:   P(OC(CCC)C)(OCC)(OCC)=O
InChI:   InChI=1/C9H21O4P/c1-5-8-9(4)13-14(10,11-6-2)12-7-3/h9H,5-8H2,1-4H3/t9-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-12.5351 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.237 g/mol  logS: -1.89177  SlogP: 2.3025  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176338  Sterimol/B1: 2.76243  Sterimol/B2: 4.75383  Sterimol/B3: 5.24459
  Sterimol/B4: 5.73353  Sterimol/L: 12.6562 
 
 Surface and Volume Properties
  Accessible surface: 488.64  Positive charged surface: 359.9  Negative charged surface: 128.74  Volume: 227
  Hydrophobic surface: 365.848  Hydrophilic surface: 122.792
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.