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PUBCHEM-ZINC03646131

 MMsINC code: MMs03032864
Type: Ionized
Formula: C8H13NO7P-
SMILES:   P(OC(=O)C1(N)CC(CCC1)C(=O)[O-])(O)(O)=O
InChI:   InChI=1/C8H14NO7P/c9-8(7(12)16-17(13,14)15)3-1-2-5(4-8)6(10)11/h5H,1-4,9H2,(H,10,11)(H2,13,14,15)/p-1/t5-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=-75.3704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.166 g/mol  logS: -0.10116  SlogP: -2.8103  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.259287  Sterimol/B1: 2.42118  Sterimol/B2: 4.51757  Sterimol/B3: 4.66936
  Sterimol/B4: 4.98327  Sterimol/L: 11.0822 
 
 Surface and Volume Properties
  Accessible surface: 404.298  Positive charged surface: 221.086  Negative charged surface: 183.212  Volume: 203.625
  Hydrophobic surface: 139.913  Hydrophilic surface: 264.385
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 2  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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Parent related molecule:


MMs03032863
PUBCHEM-ZINC03646131