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NCID-ZINC05502157

 MMsINC code: MMs02468936
Type: Ionized
Formula: C3H7NO5P-
SMILES:   P(O)(O)(=O)C(N)CC(=O)[O-]
InChI:   InChI=1/C3H8NO5P/c4-2(1-3(5)6)10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/p-1/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=-39.1298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.065 g/mol  logS: 1.36868  SlogP: -3.4813  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163726  Sterimol/B1: 2.93952  Sterimol/B2: 3.13467  Sterimol/B3: 3.1642
  Sterimol/B4: 4.17654  Sterimol/L: 10.1312 
 
 Surface and Volume Properties
  Accessible surface: 302.594  Positive charged surface: 146.494  Negative charged surface: 156.1  Volume: 120.25
  Hydrophobic surface: 47.3679  Hydrophilic surface: 255.2261
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 2  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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Parent related molecule:


MMs02468935
NCID-ZINC05502157