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NCID-ZINC05080666

 MMsINC code: MMs02437252
Type: Neutral
Formula: C28H25FN2O5
SMILES:   FC1=CN(C2OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C(O)C2)C(=O)NC1=
O
InChI:   InChI=1/C28H25FN2O5/c29-22-17-31(27(34)30-26(22)33)25-16-23(32)24(36-25)18-35-28(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17,23-25,32H,16,18H2,(H,30,33,34)/t23-,24-,25+/m0/s1

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Potential Energy
Epot(MMFF94)=153.125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 488.515 g/mol  logS: -6.31408  SlogP: 4.2541  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.268326  Sterimol/B1: 2.4328  Sterimol/B2: 4.1479  Sterimol/B3: 7.78964
  Sterimol/B4: 9.52037  Sterimol/L: 15.876 
 
 Surface and Volume Properties
  Accessible surface: 723.421  Positive charged surface: 413.933  Negative charged surface: 309.488  Volume: 443
  Hydrophobic surface: 557.135  Hydrophilic surface: 166.286
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.