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APOLLO-ZINC02565689

 MMsINC code: MMs00054163
Type: Neutral
Formula: C5H13O4P
SMILES:   P(OC)(OC)(=O)C(O)(C)C
InChI:   InChI=1/C5H13O4P/c1-5(2,6)10(7,8-3)9-4/h6H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.3301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.129 g/mol  logS: -0.11922  SlogP: 0.1305  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21002  Sterimol/B1: 2.18806  Sterimol/B2: 3.25289  Sterimol/B3: 4.81677
  Sterimol/B4: 4.90082  Sterimol/L: 9.25628 
 
 Surface and Volume Properties
  Accessible surface: 349.872  Positive charged surface: 267.417  Negative charged surface: 82.4549  Volume: 154.125
  Hydrophobic surface: 244.666  Hydrophilic surface: 105.206
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.