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NCID-ZINC01555386

 MMsINC code: MMs02219093
Type: Neutral
Formula: C18H22NO3P
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)(=O)NC1CCCCC1
InChI:   InChI=1/C18H22NO3P/c20-23(19-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h2-3,6-9,12-16H,1,4-5,10-11H2,(H,19,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.5298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.352 g/mol  logS: -4.18397  SlogP: 4.1046  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111265  Sterimol/B1: 3.1265  Sterimol/B2: 3.48451  Sterimol/B3: 4.1835
  Sterimol/B4: 9.45695  Sterimol/L: 14.1568 
 
 Surface and Volume Properties
  Accessible surface: 564.865  Positive charged surface: 351.962  Negative charged surface: 212.904  Volume: 317.875
  Hydrophobic surface: 524.948  Hydrophilic surface: 39.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.