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PUBCHEM-ZINC02963817

 MMsINC code: MMs02968285
Type: Neutral
Formula: C9H20NO5P
SMILES:   P(OC(C)C)(OC(C)C)(=O)NCCC(O)=O
InChI:   InChI=1/C9H20NO5P/c1-7(2)14-16(13,15-8(3)4)10-6-5-9(11)12/h7-8H,5-6H2,1-4H3,(H,10,13)(H,11,12)

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Potential Energy
Epot(MMFF94)=-31.0892 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.235 g/mol  logS: -0.49527  SlogP: 0.9386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101988  Sterimol/B1: 2.72644  Sterimol/B2: 3.74556  Sterimol/B3: 4.89717
  Sterimol/B4: 6.2821  Sterimol/L: 12.1312 
 
 Surface and Volume Properties
  Accessible surface: 478.681  Positive charged surface: 306.036  Negative charged surface: 172.646  Volume: 236.5
  Hydrophobic surface: 251.955  Hydrophilic surface: 226.726
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs02968286
PUBCHEM-ZINC02963817