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NCID-ZINC05758257

 MMsINC code: MMs02494555
Type: Neutral
Formula: C30H23FN2O8
SMILES:   FC1=CN(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2)C(=O)N(C(=O)
c2ccccc2)C1=O
InChI:   InChI=1/C30H23FN2O8/c31-22-17-32(30(38)33(27(22)35)26(34)19-10-4-1-5-11-19)25-16-23(41-29(37)21-14-8-3-9-15-21)24(40-25)18-39-28(36)20-12-6-2-7-13-20/h1-15,17,23-25H,16,18H2/t23-,24-,25-/m0/s1

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Potential Energy
Epot(MMFF94)=169.257 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 558.518 g/mol  logS: -7.47164  SlogP: 4.2084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.22318  Sterimol/B1: 3.26161  Sterimol/B2: 7.20076  Sterimol/B3: 7.9158
  Sterimol/B4: 9.72754  Sterimol/L: 17.1761 
 
 Surface and Volume Properties
  Accessible surface: 861.178  Positive charged surface: 462.437  Negative charged surface: 398.741  Volume: 489.5
  Hydrophobic surface: 718.607  Hydrophilic surface: 142.571
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.