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IBS-ZINC02225520

 MMsINC code: MMs01808420
Type: Neutral
Formula: C17H22O4P2
SMILES:   P(O)(=O)(CCc1ccccc1)CP(O)(=O)CCc1ccccc1
InChI:   InChI=1/C17H22O4P2/c18-22(19,13-11-16-7-3-1-4-8-16)15-23(20,21)14-12-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,18,19)(H,20,21)

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Potential Energy
Epot(MMFF94)=40.142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.307 g/mol  logS: -1.79698  SlogP: 1.82964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.046065  Sterimol/B1: 2.58805  Sterimol/B2: 3.2127  Sterimol/B3: 5.09065
  Sterimol/B4: 5.24217  Sterimol/L: 20.1544 
 
 Surface and Volume Properties
  Accessible surface: 626.863  Positive charged surface: 349.766  Negative charged surface: 277.096  Volume: 330.25
  Hydrophobic surface: 510.032  Hydrophilic surface: 116.831
 
 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


MMs01808421
IBS-ZINC02225520