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IBS-ZINC02161030

 MMsINC code: MMs01797658
Type: Neutral
Formula: C6H14NO4P
SMILES:   P(O)(=O)(CC(C(O)=O)C)CCN
InChI:   InChI=1/C6H14NO4P/c1-5(6(8)9)4-12(10,11)3-2-7/h5H,2-4,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=-2.60423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.155 g/mol  logS: 1.21747  SlogP: -1.134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0890802  Sterimol/B1: 2.09791  Sterimol/B2: 2.77777  Sterimol/B3: 3.94992
  Sterimol/B4: 4.98655  Sterimol/L: 13.2425 
 
 Surface and Volume Properties
  Accessible surface: 386.085  Positive charged surface: 264.349  Negative charged surface: 121.735  Volume: 170.125
  Hydrophobic surface: 149.358  Hydrophilic surface: 236.727
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  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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Ions/Tautomers related molecules


MMs01797659
IBS-ZINC02161030