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ENAMINE-ZINC02650590

 MMsINC code: MMs01275119
Type: Neutral
Formula: C24H28FN3O3
SMILES:   Fc1ccc(cc1)CCNC(=O)CN1C(=O)C(NC1=O)(C)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C24H28FN3O3/c1-23(2,3)17-7-9-18(10-8-17)24(4)21(30)28(22(31)27-24)15-20(29)26-14-13-16-5-11-19(25)12-6-16/h5-12H,13-15H2,1-4H3,(H,26,29)(H,27,31)/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.3009 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.504 g/mol  logS: -6.4461  SlogP: 3.56057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0433441  Sterimol/B1: 2.19084  Sterimol/B2: 2.70136  Sterimol/B3: 5.92326
  Sterimol/B4: 5.93095  Sterimol/L: 22.8579 
 
 Surface and Volume Properties
  Accessible surface: 729.437  Positive charged surface: 434.993  Negative charged surface: 294.444  Volume: 411.375
  Hydrophobic surface: 534  Hydrophilic surface: 195.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.