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CHEMBLOCK-ZINC03115745

 MMsINC code: MMs00536750
Type: Ionized
Formula: C8H17NO5P-
SMILES:   P(O)(O)(=O)CN(CCCC)CCC(=O)[O-]
InChI:   InChI=1/C8H18NO5P/c1-2-3-5-9(6-4-8(10)11)7-15(12,13)14/h2-7H2,1H3,(H,10,11)(H2,12,13,14)/p-1

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Potential Energy
Epot(MMFF94)=-27.8244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.2 g/mol  logS: 0.29318  SlogP: -1.7065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141606  Sterimol/B1: 2.93142  Sterimol/B2: 3.85273  Sterimol/B3: 4.52722
  Sterimol/B4: 6.24285  Sterimol/L: 12.4053 
 
 Surface and Volume Properties
  Accessible surface: 447.573  Positive charged surface: 265.735  Negative charged surface: 181.838  Volume: 211.25
  Hydrophobic surface: 211.808  Hydrophilic surface: 235.765
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 2  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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Parent related molecule:


MMs00536749
CHEMBLOCK-ZINC03115745