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PUBCHEM-ZINC03633742

 MMsINC code: MMs03028532
Type: Neutral
Formula: C14H25N2P
SMILES:   P(NC(C)(C)C)(NC(C)(C)C)c1ccccc1
InChI:   InChI=1/C14H25N2P/c1-13(2,3)15-17(16-14(4,5)6)12-10-8-7-9-11-12/h7-11,15-16H,1-6H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.342 g/mol  logS: -2.43344  SlogP: 3.4  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.157176  Sterimol/B1: 2.36025  Sterimol/B2: 3.22412  Sterimol/B3: 3.45593
  Sterimol/B4: 9.59497  Sterimol/L: 11.8627 
 
 Surface and Volume Properties
  Accessible surface: 481.486  Positive charged surface: 309.893  Negative charged surface: 171.593  Volume: 277.625
  Hydrophobic surface: 363.04  Hydrophilic surface: 118.446
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.