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PUBCHEM-ZINC05532129

 MMsINC code: MMs03300217
Type: Ionized
Formula: C17H25NO6P-
SMILES:   P(Oc1ccc(NC(=O)CCC(=O)[O-])cc1)(OC(C(C)(C)C)C)(=O)C
InChI:   InChI=1/C17H26NO6P/c1-12(17(2,3)4)23-25(5,22)24-14-8-6-13(7-9-14)18-15(19)10-11-16(20)21/h6-9,12H,10-11H2,1-5H3,(H,18,19)(H,20,21)/p-1/t12-,25+/m1/s1

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Potential Energy
Epot(MMFF94)=34.6221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.362 g/mol  logS: -2.79541  SlogP: 1.7379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0567057  Sterimol/B1: 2.51066  Sterimol/B2: 5.18957  Sterimol/B3: 5.31746
  Sterimol/B4: 5.3287  Sterimol/L: 18.2744 
 
 Surface and Volume Properties
  Accessible surface: 639.481  Positive charged surface: 379.273  Negative charged surface: 260.208  Volume: 349.25
  Hydrophobic surface: 387.079  Hydrophilic surface: 252.402
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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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MMs03300216
PUBCHEM-ZINC05532129