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IBS-ZINC02309913

 MMsINC code: MMs01829203
Type: Neutral
Formula: C20H28O4P2
SMILES:   P(O)(=O)(CCc1ccccc1)CCCCP(O)(=O)CCc1ccccc1
InChI:   InChI=1/C20H28O4P2/c21-25(22,17-13-19-9-3-1-4-10-19)15-7-8-16-26(23,24)18-14-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2,(H,21,22)(H,23,24)

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Potential Energy
Epot(MMFF94)=40.4237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.388 g/mol  logS: -2.49502  SlogP: 2.65234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235169  Sterimol/B1: 3.16815  Sterimol/B2: 3.46511  Sterimol/B3: 4.40455
  Sterimol/B4: 4.73444  Sterimol/L: 24.3646 
 
 Surface and Volume Properties
  Accessible surface: 727.952  Positive charged surface: 428.751  Negative charged surface: 299.201  Volume: 383.375
  Hydrophobic surface: 592.608  Hydrophilic surface: 135.344
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs01829204
IBS-ZINC02309913