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NCID-ZINC01629623

 MMsINC code: MMs02275110
Type: Neutral
Formula: C15H35NO6P2
SMILES:   P(OC(C)C)(OC(C)C)(=O)C(P(OC(C)C)(OC(C)C)=O)N(C)C
InChI:   InChI=1/C15H35NO6P2/c1-11(2)19-23(17,20-12(3)4)15(16(9)10)24(18,21-13(5)6)22-14(7)8/h11-15H,1-10H3

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Potential Energy
Epot(MMFF94)=91.4286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.394 g/mol  logS: -1.58428  SlogP: 2.7774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120638  Sterimol/B1: 2.48889  Sterimol/B2: 2.84332  Sterimol/B3: 4.39275
  Sterimol/B4: 8.45846  Sterimol/L: 14.9066 
 
 Surface and Volume Properties
  Accessible surface: 616.801  Positive charged surface: 441.353  Negative charged surface: 175.448  Volume: 377.625
  Hydrophobic surface: 439.206  Hydrophilic surface: 177.595
 
 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.