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AURORAFEINCHEMIE-ZINC05788159

 MMsINC code: MMs00476459
Type: Neutral
Formula: C24H30N2O5
SMILES:   o1cccc1C(=O)NC(Cc1ccccc1)C(OCC(=O)NC1CCCC(C)C1C)=O
InChI:   InChI=1/C24H30N2O5/c1-16-8-6-11-19(17(16)2)25-22(27)15-31-24(29)20(14-18-9-4-3-5-10-18)26-23(28)21-12-7-13-30-21/h3-5,7,9-10,12-13,16-17,19-20H,6,8,11,14-15H2,1-2H3,(H,25,27)(H,26,28)/t16-,17+,19+,20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.7747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.513 g/mol  logS: -5.88082  SlogP: 3.10477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0499202  Sterimol/B1: 2.86605  Sterimol/B2: 5.5587  Sterimol/B3: 5.7232
  Sterimol/B4: 7.16668  Sterimol/L: 19.8206 
 
 Surface and Volume Properties
  Accessible surface: 749.537  Positive charged surface: 471.475  Negative charged surface: 278.062  Volume: 418.25
  Hydrophobic surface: 608.389  Hydrophilic surface: 141.148
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.