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PUBCHEM-ZINC03626396

 MMsINC code: MMs03025936
Type: Neutral
Formula: C24H21FN2O7
SMILES:   FC1=CN(CC(O)C2OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)C(=O)NC1=O
InChI:   InChI=1/C24H21FN2O7/c25-17-11-27(24(31)26-22(17)29)12-18(28)19-20(32-13-15-7-3-1-4-8-15)21(23(30)34-19)33-14-16-9-5-2-6-10-16/h1-11,18-19,28H,12-14H2,(H,26,29,31)/t18-,19-/m1/s1

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Potential Energy
Epot(MMFF94)=93.0584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.437 g/mol  logS: -5.26521  SlogP: 2.9223  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113989  Sterimol/B1: 2.53115  Sterimol/B2: 4.23886  Sterimol/B3: 4.45535
  Sterimol/B4: 10.7133  Sterimol/L: 18.2708 
 
 Surface and Volume Properties
  Accessible surface: 726.992  Positive charged surface: 395.195  Negative charged surface: 331.798  Volume: 408.25
  Hydrophobic surface: 521.15  Hydrophilic surface: 205.842
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.