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ENAMINE-ZINC03404270

 MMsINC code: MMs01421686
Type: Neutral
Formula: C10H10BrFN2O3
SMILES:   Brc1cc(F)c(OCC(=O)NC(=O)NC)cc1
InChI:   InChI=1/C10H10BrFN2O3/c1-13-10(16)14-9(15)5-17-8-3-2-6(11)4-7(8)12/h2-4H,5H2,1H3,(H2,13,14,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.8256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.103 g/mol  logS: -3.22173  SlogP: 1.4226  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00719276  Sterimol/B1: 2.37479  Sterimol/B2: 2.37592  Sterimol/B3: 3.91298
  Sterimol/B4: 4.13907  Sterimol/L: 17.2804 
 
 Surface and Volume Properties
  Accessible surface: 482.677  Positive charged surface: 256.919  Negative charged surface: 225.758  Volume: 225.375
  Hydrophobic surface: 361.365  Hydrophilic surface: 121.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.