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CHEMBRIDGE-ZINC01737402

 MMsINC code: MMs00695138
Type: Neutral
Formula: C10H22NO3P
SMILES:   P(OCC)(OCC)(=O)CN1CCCCC1
InChI:   InChI=1/C10H22NO3P/c1-3-13-15(12,14-4-2)10-11-8-6-5-7-9-11/h3-10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.0397 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.264 g/mol  logS: -0.62334  SlogP: 1.6257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0699641  Sterimol/B1: 2.18172  Sterimol/B2: 2.93177  Sterimol/B3: 3.81194
  Sterimol/B4: 7.70988  Sterimol/L: 13.8638 
 
 Surface and Volume Properties
  Accessible surface: 480.306  Positive charged surface: 376.857  Negative charged surface: 103.449  Volume: 234.625
  Hydrophobic surface: 398.167  Hydrophilic surface: 82.139
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.