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IBS-ZINC02105543

 MMsINC code: MMs01786176
Type: Neutral
Formula: C6H14NO4P
SMILES:   P(O)(O)(=O)C(NC(=O)C)C(C)C
InChI:   InChI=1/C6H14NO4P/c1-4(2)6(7-5(3)8)12(9,10)11/h4,6H,1-3H3,(H,7,8)(H2,9,10,11)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=-14.0198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.155 g/mol  logS: 0.28757  SlogP: -0.7879  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17601  Sterimol/B1: 3.08947  Sterimol/B2: 3.61324  Sterimol/B3: 3.79505
  Sterimol/B4: 5.61991  Sterimol/L: 10.1393 
 
 Surface and Volume Properties
  Accessible surface: 376.433  Positive charged surface: 221.012  Negative charged surface: 155.421  Volume: 173.875
  Hydrophobic surface: 182.645  Hydrophilic surface: 193.788
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.