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IBS-ZINC02129388

 MMsINC code: MMs01792301
Type: Ionized
Formula: C6H13NO4P-
SMILES:   P(=O)([O-])(CCC[NH3+])CCC(=O)[O-]
InChI:   InChI=1/C6H14NO4P/c7-3-1-4-12(10,11)5-2-6(8)9/h1-5,7H2,(H,8,9)(H,10,11)/p-1

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Potential Energy
Epot(MMFF94)=-2.13211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.147 g/mol  logS: 0.90989  SlogP: -3.6734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0493751  Sterimol/B1: 3.0425  Sterimol/B2: 3.13326  Sterimol/B3: 3.13454
  Sterimol/B4: 3.91396  Sterimol/L: 14.1433 
 
 Surface and Volume Properties
  Accessible surface: 394.183  Positive charged surface: 249.621  Negative charged surface: 144.562  Volume: 171.125
  Hydrophobic surface: 151.697  Hydrophilic surface: 242.486
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  Basic groups: 1
  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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Parent related molecule:


MMs01792300
IBS-ZINC02129388