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AURORAFEINCHEMIE-ZINC00534334

 MMsINC code: MMs00447361
Type: Neutral
Formula: C18H20N2O3
SMILES:   OC(=O)C(NC(=O)Nc1ccc(cc1)CC)Cc1ccccc1
InChI:   InChI=1/C18H20N2O3/c1-2-13-8-10-15(11-9-13)19-18(23)20-16(17(21)22)12-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,21,22)(H2,19,20,23)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.9221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.369 g/mol  logS: -4.24254  SlogP: 3.06634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0623564  Sterimol/B1: 3.2652  Sterimol/B2: 4.09887  Sterimol/B3: 5.47096
  Sterimol/B4: 6.17331  Sterimol/L: 16.4068 
 
 Surface and Volume Properties
  Accessible surface: 592.687  Positive charged surface: 354.113  Negative charged surface: 238.574  Volume: 309
  Hydrophobic surface: 438.682  Hydrophilic surface: 154.005
 
 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


MMs00447362
AURORAFEINCHEMIE-ZINC00534334