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ACROSORGANICS-ZINC02046144

 MMsINC code: MMs00012807
Type: Neutral
Formula: C10H21O5P
SMILES:   P(OCC)(OCC)(=O)C(CC)C(OCC)=O
InChI:   InChI=1/C10H21O5P/c1-5-9(10(11)13-6-2)16(12,14-7-3)15-8-4/h9H,5-8H2,1-4H3/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.48279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.247 g/mol  logS: -1.53016  SlogP: 1.524  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0707041  Sterimol/B1: 2.51476  Sterimol/B2: 2.8743  Sterimol/B3: 3.91212
  Sterimol/B4: 9.07811  Sterimol/L: 14.7478 
 
 Surface and Volume Properties
  Accessible surface: 507.898  Positive charged surface: 372.031  Negative charged surface: 135.866  Volume: 243
  Hydrophobic surface: 372.672  Hydrophilic surface: 135.226
 
 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.