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AURORAFEINCHEMIE-ZINC02410975

 MMsINC code: MMs00453190
Type: Neutral
Formula: C24H24N2O3
SMILES:   OC(=O)C(NC(=O)NCC(c1ccccc1)c1ccccc1)Cc1ccccc1
InChI:   InChI=1/C24H24N2O3/c27-23(28)22(16-18-10-4-1-5-11-18)26-24(29)25-17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22H,16-17H2,(H,27,28)(H2,25,26,29)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.3343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -4.90137  SlogP: 3.81357  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.162766  Sterimol/B1: 2.50369  Sterimol/B2: 4.20227  Sterimol/B3: 5.59726
  Sterimol/B4: 8.58067  Sterimol/L: 15.8878 
 
 Surface and Volume Properties
  Accessible surface: 696.719  Positive charged surface: 394.79  Negative charged surface: 301.929  Volume: 388.625
  Hydrophobic surface: 569.118  Hydrophilic surface: 127.601
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00453191
AURORAFEINCHEMIE-ZINC02410975