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IBS-ZINC04029826

 MMsINC code: MMs01876067
Type: Ionized
Formula: C10H18NO6P-2
SMILES:   P(=O)([O-])(CCC([NH3+])(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-2/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=-15.3773 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.229 g/mol  logS: -0.07715  SlogP: -4.5287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.224781  Sterimol/B1: 2.20662  Sterimol/B2: 3.27917  Sterimol/B3: 5.23437
  Sterimol/B4: 5.6916  Sterimol/L: 12.5288 
 
 Surface and Volume Properties
  Accessible surface: 463.348  Positive charged surface: 242.011  Negative charged surface: 221.337  Volume: 242.25
  Hydrophobic surface: 190.026  Hydrophilic surface: 273.322
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 6  Basic groups: 1
  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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MMs01876066
IBS-ZINC04029826