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CHEMBRIDGE-ZINC04948671

 MMsINC code: MMs00812870
Type: Neutral
Formula: C19H33O4P
SMILES:   P(OCCCC)(=O)(C(OCCCC)OCCCC)c1ccccc1
InChI:   InChI=1/C19H33O4P/c1-4-7-15-21-19(22-16-8-5-2)24(20,23-17-9-6-3)18-13-11-10-12-14-18/h10-14,19H,4-9,15-17H2,1-3H3/t24-/m1/s1

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Potential Energy
Epot(MMFF94)=57.1328 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.443 g/mol  logS: -4.03505  SlogP: 4.2535  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.240038  Sterimol/B1: 2.45327  Sterimol/B2: 4.75291  Sterimol/B3: 5.70588
  Sterimol/B4: 11.3992  Sterimol/L: 17.4308 
 
 Surface and Volume Properties
  Accessible surface: 717.357  Positive charged surface: 522.719  Negative charged surface: 194.638  Volume: 378.25
  Hydrophobic surface: 620.089  Hydrophilic surface: 97.268
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.