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CHEMSTAR-ZINC03161506

 MMsINC code: MMs01085055
Type: Ionized
Formula: C10H24N2O2P-
SMILES:   P(=O)([O-])(CN(CC)CC)CN(CC)CC
InChI:   InChI=1/C10H25N2O2P/c1-5-11(6-2)9-15(13,14)10-12(7-3)8-4/h5-10H2,1-4H3,(H,13,14)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.8681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.288 g/mol  logS: 0.40122  SlogP: 0.1532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167454  Sterimol/B1: 2.02186  Sterimol/B2: 2.22741  Sterimol/B3: 5.12849
  Sterimol/B4: 5.913  Sterimol/L: 12.8295 
 
 Surface and Volume Properties
  Accessible surface: 491.076  Positive charged surface: 363.28  Negative charged surface: 127.796  Volume: 252.25
  Hydrophobic surface: 362.431  Hydrophilic surface: 128.645
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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:


MMs01085054
CHEMSTAR-ZINC03161506