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NCID-ZINC01720919

 MMsINC code: MMs02345821
Type: Neutral
Formula: C16H26O6P2
SMILES:   P(OCC)(OCC)(=O)C(P(OCC)(OCC)=O)=Cc1ccccc1
InChI:   InChI=1/C16H26O6P2/c1-5-19-23(17,20-6-2)16(14-15-12-10-9-11-13-15)24(18,21-7-3)22-8-4/h9-14H,5-8H2,1-4H3

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Potential Energy
Epot(MMFF94)=29.2603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.326 g/mol  logS: -3.33629  SlogP: 3.3768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.288168  Sterimol/B1: 2.57654  Sterimol/B2: 3.29809  Sterimol/B3: 7.47091
  Sterimol/B4: 8.86665  Sterimol/L: 14.0978 
 
 Surface and Volume Properties
  Accessible surface: 646.228  Positive charged surface: 429.738  Negative charged surface: 216.49  Volume: 352.375
  Hydrophobic surface: 510.556  Hydrophilic surface: 135.672
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.