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ENAMINE-ZINC03534258

 MMsINC code: MMs01495399
Type: Neutral
Formula: C24H32N2O3
SMILES:   Oc1c(cc(cc1C(C)(C)C)CCC(=O)Nc1ccc(cc1)C(=O)N)C(C)(C)C
InChI:   InChI=1/C24H32N2O3/c1-23(2,3)18-13-15(14-19(21(18)28)24(4,5)6)7-12-20(27)26-17-10-8-16(9-11-17)22(25)29/h8-11,13-14,28H,7,12H2,1-6H3,(H2,25,29)(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.531 g/mol  logS: -6.60069  SlogP: 4.65737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0525945  Sterimol/B1: 2.41154  Sterimol/B2: 3.20108  Sterimol/B3: 4.34712
  Sterimol/B4: 9.7438  Sterimol/L: 18.9919 
 
 Surface and Volume Properties
  Accessible surface: 706.881  Positive charged surface: 459.378  Negative charged surface: 247.504  Volume: 408
  Hydrophobic surface: 449.154  Hydrophilic surface: 257.727
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.