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ENAMINE-ZINC06602813

 MMsINC code: MMs01684030
Type: Neutral
Formula: C18H17F3N4O3
SMILES:   Fc1c(F)c(F)ccc1NC(=O)CNC(=O)C(NC(=O)N)Cc1ccccc1
InChI:   InChI=1/C18H17F3N4O3/c19-11-6-7-12(16(21)15(11)20)24-14(26)9-23-17(27)13(25-18(22)28)8-10-4-2-1-3-5-10/h1-7,13H,8-9H2,(H,23,27)(H,24,26)(H3,22,25,28)/t13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.6397 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.353 g/mol  logS: -4.59363  SlogP: 1.43817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0212619  Sterimol/B1: 2.77478  Sterimol/B2: 2.97261  Sterimol/B3: 3.30564
  Sterimol/B4: 7.97428  Sterimol/L: 18.6539 
 
 Surface and Volume Properties
  Accessible surface: 631.354  Positive charged surface: 350.184  Negative charged surface: 281.17  Volume: 331.25
  Hydrophobic surface: 445.774  Hydrophilic surface: 185.58
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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.