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CHEMBRIDGE-ZINC02831396

 MMsINC code: MMs00722040
Type: Ionized
Formula: C10H20NO4P-2
SMILES:   P(=O)([O-])(CCC(=O)[O-])CN(CCC)CCC
InChI:   InChI=1/C10H22NO4P/c1-3-6-11(7-4-2)9-16(14,15)8-5-10(12)13/h3-9H2,1-2H3,(H,12,13)(H,14,15)/p-2

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Potential Energy
Epot(MMFF94)=43.5338 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.247 g/mol  logS: 0.11728  SlogP: -1.2259  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0828591  Sterimol/B1: 2.34862  Sterimol/B2: 3.24792  Sterimol/B3: 3.58514
  Sterimol/B4: 8.84299  Sterimol/L: 13.8368 
 
 Surface and Volume Properties
  Accessible surface: 497.486  Positive charged surface: 316.882  Negative charged surface: 180.604  Volume: 241.5
  Hydrophobic surface: 300.027  Hydrophilic surface: 197.459
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 4  Basic groups: 0
  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:


MMs00722039
CHEMBRIDGE-ZINC02831396