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CHEMBRIDGE-ZINC03105894

 MMsINC code: MMs00752285
Type: Neutral
Formula: C14H25N2OP
SMILES:   P(=O)(CCN(C)C)(CCN(C)C)c1ccccc1
InChI:   InChI=1/C14H25N2OP/c1-15(2)10-12-18(17,13-11-16(3)4)14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3

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Potential Energy
Epot(MMFF94)=39.7788 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.341 g/mol  logS: -0.7219  SlogP: 0.728  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104338  Sterimol/B1: 2.67555  Sterimol/B2: 2.97772  Sterimol/B3: 4.5046
  Sterimol/B4: 7.99946  Sterimol/L: 14.8546 
 
 Surface and Volume Properties
  Accessible surface: 541.561  Positive charged surface: 434.912  Negative charged surface: 106.649  Volume: 289.875
  Hydrophobic surface: 512.921  Hydrophilic surface: 28.64
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00752286
CHEMBRIDGE-ZINC03105894