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COMGENEX-ZINC06766044

 MMsINC code: MMs01201539
Type: Neutral
Formula: C20H26FNO5
SMILES:   Fc1ccc(cc1)COC1(CC(OCC=C)C(O)C(O)C1)C(=O)NC1CC1
InChI:   InChI=1/C20H26FNO5/c1-2-9-26-17-11-20(10-16(23)18(17)24,19(25)22-15-7-8-15)27-12-13-3-5-14(21)6-4-13/h2-6,15-18,23-24H,1,7-12H2,(H,22,25)/t16-,17+,18-,20+/m1/s1

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Potential Energy
Epot(MMFF94)=110.502 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.428 g/mol  logS: -3.30718  SlogP: 1.7129  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163982  Sterimol/B1: 2.28962  Sterimol/B2: 5.28174  Sterimol/B3: 6.26899
  Sterimol/B4: 6.67155  Sterimol/L: 17.2467 
 
 Surface and Volume Properties
  Accessible surface: 645.456  Positive charged surface: 393.536  Negative charged surface: 251.921  Volume: 361.625
  Hydrophobic surface: 438.913  Hydrophilic surface: 206.543
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.