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NCID-ZINC01580105

 MMsINC code: MMs02237782
Type: Neutral
Formula: C18H24O5P2
SMILES:   P(OCCOCCOP(=O)(C)c1ccccc1)(=O)(C)c1ccccc1
InChI:   InChI=1/C18H24O5P2/c1-24(19,17-9-5-3-6-10-17)22-15-13-21-14-16-23-25(2,20)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3/t24-,25-/m0/s1

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Potential Energy
Epot(MMFF94)=65.1298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.333 g/mol  logS: -2.91346  SlogP: 1.3626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162942  Sterimol/B1: 2.24612  Sterimol/B2: 2.34297  Sterimol/B3: 6.26204
  Sterimol/B4: 6.86006  Sterimol/L: 18.541 
 
 Surface and Volume Properties
  Accessible surface: 697.098  Positive charged surface: 423.129  Negative charged surface: 273.969  Volume: 358.25
  Hydrophobic surface: 598.225  Hydrophilic surface: 98.873
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.