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IBS-ZINC02161032

 MMsINC code: MMs01797660
Type: Neutral
Formula: C6H14NO4P
SMILES:   P(O)(=O)(CC(C(O)=O)C)CCN
InChI:   InChI=1/C6H14NO4P/c1-5(6(8)9)4-12(10,11)3-2-7/h5H,2-4,7H2,1H3,(H,8,9)(H,10,11)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=-3.91009 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.155 g/mol  logS: 1.21747  SlogP: -1.134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.075663  Sterimol/B1: 2.19718  Sterimol/B2: 2.67673  Sterimol/B3: 3.8877
  Sterimol/B4: 5.03639  Sterimol/L: 13.2267 
 
 Surface and Volume Properties
  Accessible surface: 385.843  Positive charged surface: 261.307  Negative charged surface: 124.536  Volume: 172.875
  Hydrophobic surface: 150.36  Hydrophilic surface: 235.483
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs01797661
IBS-ZINC02161032