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ENAMINE-ZINC02641424

 MMsINC code: MMs01269352
Type: Neutral
Formula: C24H30N2O3
SMILES:   O=C(C)c1cc(NC(=O)C(NC(=O)c2ccc(cc2)C(C)(C)C)C(C)C)ccc1
InChI:   InChI=1/C24H30N2O3/c1-15(2)21(23(29)25-20-9-7-8-18(14-20)16(3)27)26-22(28)17-10-12-19(13-11-17)24(4,5)6/h7-15,21H,1-6H3,(H,25,29)(H,26,28)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.515 g/mol  logS: -6.59004  SlogP: 4.5798  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.066672  Sterimol/B1: 2.70684  Sterimol/B2: 3.48045  Sterimol/B3: 5.93864
  Sterimol/B4: 8.05754  Sterimol/L: 20.7515 
 
 Surface and Volume Properties
  Accessible surface: 709.802  Positive charged surface: 427.096  Negative charged surface: 282.707  Volume: 403.5
  Hydrophobic surface: 524.731  Hydrophilic surface: 185.071
 
 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.