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COMGENEX-ZINC06766175

 MMsINC code: MMs01201662
Type: Neutral
Formula: C23H30FNO5
SMILES:   Fc1ccc(cc1)COC1(CC(OCC=C)C2OC(OC2C1)(C)C)C(=O)NC1CC1
InChI:   InChI=1/C23H30FNO5/c1-4-11-27-18-12-23(21(26)25-17-9-10-17,13-19-20(18)30-22(2,3)29-19)28-14-15-5-7-16(24)8-6-15/h4-8,17-20H,1,9-14H2,2-3H3,(H,25,26)/t18-,19+,20-,23+/m0/s1

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Potential Energy
Epot(MMFF94)=139.818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.493 g/mol  logS: -4.85676  SlogP: 3.5112  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.242406  Sterimol/B1: 2.36528  Sterimol/B2: 4.61619  Sterimol/B3: 5.2974
  Sterimol/B4: 10.4127  Sterimol/L: 15.3311 
 
 Surface and Volume Properties
  Accessible surface: 705.686  Positive charged surface: 427.536  Negative charged surface: 278.15  Volume: 402.625
  Hydrophobic surface: 518.154  Hydrophilic surface: 187.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.