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ENAMINE-ZINC02660773

 MMsINC code: MMs01282013
Type: Neutral
Formula: C24H24FN3O4
SMILES:   Fc1ccc(cc1)CCn1c(C)c(cc1C)C(=O)COC(=O)c1ccc(NC(=O)N)cc1
InChI:   InChI=1/C24H24FN3O4/c1-15-13-21(16(2)28(15)12-11-17-3-7-19(25)8-4-17)22(29)14-32-23(30)18-5-9-20(10-6-18)27-24(26)31/h3-10,13H,11-12,14H2,1-2H3,(H3,26,27,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.8965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 437.471 g/mol  logS: -5.10352  SlogP: 4.28341  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00850734  Sterimol/B1: 2.37223  Sterimol/B2: 2.96486  Sterimol/B3: 3.06136
  Sterimol/B4: 8.02905  Sterimol/L: 25.3406 
 
 Surface and Volume Properties
  Accessible surface: 744.087  Positive charged surface: 425.349  Negative charged surface: 318.737  Volume: 411.5
  Hydrophobic surface: 541.201  Hydrophilic surface: 202.886
 
 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.