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PUBCHEM-ZINC03165066

 MMsINC code: MMs03004049
Type: Neutral
Formula: C10H24NP
SMILES:   P(NCC)(C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C10H24NP/c1-8-11-12(9(2,3)4)10(5,6)7/h11H,8H2,1-7H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.283 g/mol  logS: -1.2395  SlogP: 3.5898  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.266394  Sterimol/B1: 3.28241  Sterimol/B2: 3.55963  Sterimol/B3: 3.97883
  Sterimol/B4: 5.56419  Sterimol/L: 11.0579 
 
 Surface and Volume Properties
  Accessible surface: 403.202  Positive charged surface: 285.022  Negative charged surface: 118.179  Volume: 218.75
  Hydrophobic surface: 279.844  Hydrophilic surface: 123.358
 
 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.