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CHEMBLOCK-ZINC01227726

 MMsINC code: MMs00517686
Type: Neutral
Formula: C7H14NO4P
SMILES:   P(O)(=O)(CN1CCCC1C(O)=O)C
InChI:   InChI=1/C7H14NO4P/c1-13(11,12)5-8-4-2-3-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=39.2334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.166 g/mol  logS: 0.83675  SlogP: -0.6771  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190387  Sterimol/B1: 2.20364  Sterimol/B2: 4.15847  Sterimol/B3: 4.53474
  Sterimol/B4: 4.69932  Sterimol/L: 10.8129 
 
 Surface and Volume Properties
  Accessible surface: 385.677  Positive charged surface: 265.327  Negative charged surface: 120.351  Volume: 181.5
  Hydrophobic surface: 210.399  Hydrophilic surface: 175.278
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00517687
CHEMBLOCK-ZINC01227726