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CHEMBRIDGE-ZINC02495802

 MMsINC code: MMs00711447
Type: Neutral
Formula: C11H24NO4P
SMILES:   P(OC(C)C)(OC(C)C)(=O)CN1CCOCC1
InChI:   InChI=1/C11H24NO4P/c1-10(2)15-17(13,16-11(3)4)9-12-5-7-14-8-6-12/h10-11H,5-9H2,1-4H3

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Potential Energy
Epot(MMFF94)=61.4085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.29 g/mol  logS: -0.81509  SlogP: 1.249  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164399  Sterimol/B1: 2.18119  Sterimol/B2: 2.77845  Sterimol/B3: 4.77658
  Sterimol/B4: 7.22786  Sterimol/L: 13.2771 
 
 Surface and Volume Properties
  Accessible surface: 501.226  Positive charged surface: 386.039  Negative charged surface: 115.187  Volume: 261.875
  Hydrophobic surface: 384.9  Hydrophilic surface: 116.326
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.