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CHEMDIV-ZINC06876450

 MMsINC code: MMs01051529
Type: Neutral
Formula: C20H24FN3O5
SMILES:   Fc1ccc(cc1)-c1onc(c1)COCC(=O)NC1CCN(CC1)C(OCC)=O
InChI:   InChI=1/C20H24FN3O5/c1-2-28-20(26)24-9-7-16(8-10-24)22-19(25)13-27-12-17-11-18(29-23-17)14-3-5-15(21)6-4-14/h3-6,11,16H,2,7-10,12-13H2,1H3,(H,22,25)

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Potential Energy
Epot(MMFF94)=59.0449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.426 g/mol  logS: -4.18607  SlogP: 3.0008  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.037495  Sterimol/B1: 2.39372  Sterimol/B2: 3.06876  Sterimol/B3: 5.9529
  Sterimol/B4: 7.68363  Sterimol/L: 22.1788 
 
 Surface and Volume Properties
  Accessible surface: 718.251  Positive charged surface: 479.219  Negative charged surface: 239.033  Volume: 372.25
  Hydrophobic surface: 578.851  Hydrophilic surface: 139.4
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.