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COMGENEX-ZINC06765962

 MMsINC code: MMs01201470
Type: Neutral
Formula: C21H30FNO6
SMILES:   Fc1ccc(cc1)COC1(CC(OC)C2OC(OC2C1)(C)C)C(=O)NCCOC
InChI:   InChI=1/C21H30FNO6/c1-20(2)28-17-12-21(19(24)23-9-10-25-3,11-16(26-4)18(17)29-20)27-13-14-5-7-15(22)8-6-14/h5-8,16-18H,9-13H2,1-4H3,(H,23,24)/t16-,17+,18-,21+/m0/s1

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Potential Energy
Epot(MMFF94)=138.193 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.47 g/mol  logS: -3.95079  SlogP: 2.439  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123483  Sterimol/B1: 3.85028  Sterimol/B2: 4.72832  Sterimol/B3: 4.87075
  Sterimol/B4: 7.96778  Sterimol/L: 15.4222 
 
 Surface and Volume Properties
  Accessible surface: 670.977  Positive charged surface: 479.672  Negative charged surface: 191.305  Volume: 385.875
  Hydrophobic surface: 574.437  Hydrophilic surface: 96.54
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.