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ENAMINE-ZINC07057978

 MMsINC code: MMs01721244
Type: Neutral
Formula: C21H24F2N2O4
SMILES:   FC(F)Oc1ccccc1NC(=O)C(NC(=O)c1ccccc1OCC)C(C)C
InChI:   InChI=1/C21H24F2N2O4/c1-4-28-16-11-7-5-9-14(16)19(26)25-18(13(2)3)20(27)24-15-10-6-8-12-17(15)29-21(22)23/h5-13,18,21H,4H2,1-3H3,(H,24,27)(H,25,26)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.429 g/mol  logS: -4.77003  SlogP: 4.4997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0821395  Sterimol/B1: 2.22994  Sterimol/B2: 2.31906  Sterimol/B3: 6.55581
  Sterimol/B4: 8.43619  Sterimol/L: 17.2488 
 
 Surface and Volume Properties
  Accessible surface: 680.091  Positive charged surface: 413.096  Negative charged surface: 266.995  Volume: 371.75
  Hydrophobic surface: 494.73  Hydrophilic surface: 185.361
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.