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PUBCHEM-ZINC03075438

 MMsINC code: MMs02990037
Type: Neutral
Formula: C13H28NO4P
SMILES:   P(OCC(C)C)(OCC(C)C)(=O)C(=O)N(CC)CC
InChI:   InChI=1/C13H28NO4P/c1-7-14(8-2)13(15)19(16,17-9-11(3)4)18-10-12(5)6/h11-12H,7-10H2,1-6H3

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Potential Energy
Epot(MMFF94)=50.3031 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.344 g/mol  logS: -1.84984  SlogP: 2.9163  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18792  Sterimol/B1: 2.40725  Sterimol/B2: 4.28055  Sterimol/B3: 6.24143
  Sterimol/B4: 8.30463  Sterimol/L: 13.4898 
 
 Surface and Volume Properties
  Accessible surface: 552.847  Positive charged surface: 382.387  Negative charged surface: 170.461  Volume: 300.375
  Hydrophobic surface: 375.127  Hydrophilic surface: 177.72
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.