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PUBCHEM-ZINC03164062

 MMsINC code: MMs03003914
Type: Neutral
Formula: C10H22NP
SMILES:   P(NC1CCCCC1)(CC)CC
InChI:   InChI=1/C10H22NP/c1-3-12(4-2)11-10-8-6-5-7-9-10/h10-11H,3-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.3893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.267 g/mol  logS: -1.07459  SlogP: 3.3454  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0967657  Sterimol/B1: 2.35313  Sterimol/B2: 2.75167  Sterimol/B3: 3.52303
  Sterimol/B4: 6.94776  Sterimol/L: 11.9123 
 
 Surface and Volume Properties
  Accessible surface: 428.549  Positive charged surface: 338.208  Negative charged surface: 90.3403  Volume: 215
  Hydrophobic surface: 366.731  Hydrophilic surface: 61.818
 
 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.