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PUBCHEM-ZINC05316341

 MMsINC code: MMs03238296
Type: Neutral
Formula: C15H35NO6P2
SMILES:   P(OCC)(OCC)(=O)C(P(OCC)(OCC)=O)N(C(C)C)C(C)C
InChI:   InChI=1/C15H35NO6P2/c1-9-19-23(17,20-10-2)15(16(13(5)6)14(7)8)24(18,21-11-3)22-12-4/h13-15H,9-12H2,1-8H3

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Potential Energy
Epot(MMFF94)=125.367 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.394 g/mol  logS: -1.58428  SlogP: 2.7806  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18229  Sterimol/B1: 4.01434  Sterimol/B2: 4.03482  Sterimol/B3: 4.59307
  Sterimol/B4: 8.69096  Sterimol/L: 14.4409 
 
 Surface and Volume Properties
  Accessible surface: 623.133  Positive charged surface: 449.79  Negative charged surface: 173.343  Volume: 371.375
  Hydrophobic surface: 448.921  Hydrophilic surface: 174.212
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  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.