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PUBCHEM-ZINC03078549

 MMsINC code: MMs02990695
Type: Neutral
Formula: C18H26NO6PS
SMILES:   S(=O)(=O)(NC1(P(OC(C)C)(OC(C)C)=O)C=CC(=O)c2c1cccc2)CC
InChI:   InChI=1/C18H26NO6PS/c1-6-27(22,23)19-18(26(21,24-13(2)3)25-14(4)5)12-11-17(20)15-9-7-8-10-16(15)18/h7-14,19H,6H2,1-5H3/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=82.5853 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.447 g/mol  logS: -3.83932  SlogP: 2.8156  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.268864  Sterimol/B1: 3.37102  Sterimol/B2: 5.31908  Sterimol/B3: 5.42234
  Sterimol/B4: 6.92037  Sterimol/L: 13.9972 
 
 Surface and Volume Properties
  Accessible surface: 610.906  Positive charged surface: 368.883  Negative charged surface: 242.023  Volume: 369.25
  Hydrophobic surface: 397.142  Hydrophilic surface: 213.764
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.