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NCID-ZINC01600153

 MMsINC code: MMs02253343
Type: Neutral
Formula: C14H16O4P2
SMILES:   P(O)(=O)(CCP(O)(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C14H16O4P2/c15-19(16,13-7-3-1-4-8-13)11-12-20(17,18)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)(H,17,18)

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Potential Energy
Epot(MMFF94)=34.8078 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.226 g/mol  logS: -2.08046  SlogP: 0.0378  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.04647  Sterimol/B1: 3.51624  Sterimol/B2: 3.55869  Sterimol/B3: 3.97522
  Sterimol/B4: 4.41316  Sterimol/L: 17.3355 
 
 Surface and Volume Properties
  Accessible surface: 538.621  Positive charged surface: 256.946  Negative charged surface: 281.675  Volume: 278.375
  Hydrophobic surface: 406.515  Hydrophilic surface: 132.106
 
 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: no related molecules available.