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IBS-ZINC04029825

 MMsINC code: MMs01876065
Type: Ionized
Formula: C10H17NO6P-3
SMILES:   P(=O)([O-])(CCC(N)(C(C)C)C(=O)[O-])CCC(=O)[O-]
InChI:   InChI=1/C10H20NO6P/c1-7(2)10(11,9(14)15)4-6-18(16,17)5-3-8(12)13/h7H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/p-3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=67.8669 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.221 g/mol  logS: -0.10154  SlogP: -3.8119  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10393  Sterimol/B1: 2.29639  Sterimol/B2: 2.8837  Sterimol/B3: 4.92431
  Sterimol/B4: 5.27898  Sterimol/L: 15.0175 
 
 Surface and Volume Properties
  Accessible surface: 485.061  Positive charged surface: 245.827  Negative charged surface: 239.234  Volume: 242.25
  Hydrophobic surface: 185.187  Hydrophilic surface: 299.874
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 6  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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MMs01876064
IBS-ZINC04029825