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ACROSORGANICS-ZINC02381636

 MMsINC code: MMs00013436
Type: Neutral
Formula: C4H12O6P2
SMILES:   P(O)(O)(=O)CCCCP(O)(O)=O
InChI:   InChI=1/C4H12O6P2/c5-11(6,7)3-1-2-4-12(8,9)10/h1-4H2,(H2,5,6,7)(H2,8,9,10)

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Potential Energy
Epot(MMFF94)=-88.2635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.082 g/mol  logS: 1.34496  SlogP: -2.0184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0849186  Sterimol/B1: 2.6044  Sterimol/B2: 2.9538  Sterimol/B3: 3.34057
  Sterimol/B4: 3.47521  Sterimol/L: 13.5928 
 
 Surface and Volume Properties
  Accessible surface: 395.149  Positive charged surface: 223.925  Negative charged surface: 171.224  Volume: 165.625
  Hydrophobic surface: 120.413  Hydrophilic surface: 274.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.