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ENAMINE-ZINC03168801

 MMsINC code: MMs01293571
Type: Neutral
Formula: C24H21F2NO2
SMILES:   FC(F)Oc1ccc(cc1)\C=C(/C(=O)NC(C)c1ccccc1)\c1ccccc1
InChI:   InChI=1/C24H21F2NO2/c1-17(19-8-4-2-5-9-19)27-23(28)22(20-10-6-3-7-11-20)16-18-12-14-21(15-13-18)29-24(25)26/h2-17,24H,1H3,(H,27,28)/b22-16+/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.433 g/mol  logS: -6.04368  SlogP: 6.2214  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0740295  Sterimol/B1: 2.07148  Sterimol/B2: 2.99213  Sterimol/B3: 5.52549
  Sterimol/B4: 7.19929  Sterimol/L: 18.2552 
 
 Surface and Volume Properties
  Accessible surface: 643.107  Positive charged surface: 350.772  Negative charged surface: 292.335  Volume: 374.5
  Hydrophobic surface: 509.65  Hydrophilic surface: 133.457
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.