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ENAMINE-ZINC03464528

 MMsINC code: MMs01458884
Type: Neutral
Formula: C18H23F2N3O4
SMILES:   FC(F)Oc1ccc(cc1)C1(NC(=O)N(CC(=O)NC(CC)CC)C1=O)C
InChI:   InChI=1/C18H23F2N3O4/c1-4-12(5-2)21-14(24)10-23-15(25)18(3,22-17(23)26)11-6-8-13(9-7-11)27-16(19)20/h6-9,12,16H,4-5,10H2,1-3H3,(H,21,24)(H,22,26)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.1994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.395 g/mol  logS: -3.49438  SlogP: 3.0912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163275  Sterimol/B1: 2.52645  Sterimol/B2: 5.64411  Sterimol/B3: 5.87492
  Sterimol/B4: 6.61753  Sterimol/L: 14.2256 
 
 Surface and Volume Properties
  Accessible surface: 622.569  Positive charged surface: 383.907  Negative charged surface: 238.662  Volume: 343
  Hydrophobic surface: 374.568  Hydrophilic surface: 248.001
 
 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.