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PUBCHEM-ZINC05975943

 MMsINC code: MMs03471413
Type: Ionized
Formula: C5H11NO5P-
SMILES:   P(OCC1C[NH2+]CC1O)(=O)([O-])[O-]
InChI:   InChI=1/C5H12NO5P/c7-5-2-6-1-4(5)3-11-12(8,9)10/h4-7H,1-3H2,(H2,8,9,10)/p-1/t4-,5+/m1/s1

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Potential Energy
Epot(MMFF94)=-14.1889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.119 g/mol  logS: 0.9162  SlogP: -4.6844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141368  Sterimol/B1: 2.49934  Sterimol/B2: 2.94549  Sterimol/B3: 2.95402
  Sterimol/B4: 5.12556  Sterimol/L: 10.814 
 
 Surface and Volume Properties
  Accessible surface: 344.881  Positive charged surface: 212.295  Negative charged surface: 132.586  Volume: 154.75
  Hydrophobic surface: 120.761  Hydrophilic surface: 224.12
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 3  Basic groups: 1
  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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Parent related molecule:


MMs03471412
PUBCHEM-ZINC05975943