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ENAMINE-ZINC03205254

 MMsINC code: MMs01305648
Type: Neutral
Formula: C14H30NOP
SMILES:   P(=O)(NC1CCCCC1)(C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C14H30NOP/c1-13(2,3)17(16,14(4,5)6)15-12-10-8-7-9-11-12/h12H,7-11H2,1-6H3,(H,15,16)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.59 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.374 g/mol  logS: -2.23395  SlogP: 3.7136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.19339  Sterimol/B1: 2.55695  Sterimol/B2: 2.9114  Sterimol/B3: 4.66551
  Sterimol/B4: 6.57912  Sterimol/L: 12.8797 
 
 Surface and Volume Properties
  Accessible surface: 474.665  Positive charged surface: 337.611  Negative charged surface: 137.054  Volume: 283.25
  Hydrophobic surface: 369.361  Hydrophilic surface: 105.304
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.