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ACROSORGANICS-ZINC03873029

 MMsINC code: MMs00016188
Type: Ionized
Formula: C3H7NO5P-
SMILES:   P(O)(O)(=O)CC(N)C(=O)[O-]
InChI:   InChI=1/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/p-1/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=-43.1087 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.065 g/mol  logS: 1.13133  SlogP: -3.8289  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180432  Sterimol/B1: 2.67248  Sterimol/B2: 2.8061  Sterimol/B3: 3.66475
  Sterimol/B4: 4.20707  Sterimol/L: 9.62324 
 
 Surface and Volume Properties
  Accessible surface: 303.103  Positive charged surface: 144.048  Negative charged surface: 159.055  Volume: 118.875
  Hydrophobic surface: 52.9104  Hydrophilic surface: 250.1926
 
 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:


MMs00016187
ACROSORGANICS-ZINC03873029