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PUBCHEM-ZINC06929645

 MMsINC code: MMs03905059
Type: Ionized
Formula: C11H21NO8P-
SMILES:   P(OC(C(NC(OC(C)(C)C)=O)C(=O)[O-])C)(OC)(OC)=O
InChI:   InChI=1/C11H22NO8P/c1-7(20-21(16,17-5)18-6)8(9(13)14)12-10(15)19-11(2,3)4/h7-8H,1-6H3,(H,12,15)(H,13,14)/p-1/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=3.49491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.262 g/mol  logS: -1.68046  SlogP: -0.6346  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0611563  Sterimol/B1: 2.70479  Sterimol/B2: 3.86208  Sterimol/B3: 4.43361
  Sterimol/B4: 6.16998  Sterimol/L: 16.3004 
 
 Surface and Volume Properties
  Accessible surface: 553.445  Positive charged surface: 371.58  Negative charged surface: 181.865  Volume: 288.125
  Hydrophobic surface: 337.922  Hydrophilic surface: 215.523
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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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Parent related molecule:


MMs03905058
PUBCHEM-ZINC06929645