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CHEMBLOCK-ZINC03115747

 MMsINC code: MMs00536751
Type: Neutral
Formula: C6H14NO5P
SMILES:   P(O)(O)(=O)CN(CCC(O)=O)CC
InChI:   InChI=1/C6H14NO5P/c1-2-7(4-3-6(8)9)5-13(10,11)12/h2-5H2,1H3,(H,8,9)(H2,10,11,12)

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Potential Energy
Epot(MMFF94)=-7.67305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.154 g/mol  logS: 1.27062  SlogP: -1.152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141102  Sterimol/B1: 2.5341  Sterimol/B2: 3.1691  Sterimol/B3: 3.53141
  Sterimol/B4: 7.04034  Sterimol/L: 11.6726 
 
 Surface and Volume Properties
  Accessible surface: 400.097  Positive charged surface: 252.929  Negative charged surface: 147.169  Volume: 180.125
  Hydrophobic surface: 152.972  Hydrophilic surface: 247.125
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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


MMs00536752
CHEMBLOCK-ZINC03115747