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AURORAFEINCHEMIE-ZINC00541503

 MMsINC code: MMs00447517
Type: Neutral
Formula: C18H20N2O3
SMILES:   OC(=O)C(NC(=O)Nc1cccc(C)c1C)Cc1ccccc1
InChI:   InChI=1/C18H20N2O3/c1-12-7-6-10-15(13(12)2)19-18(23)20-16(17(21)22)11-14-8-4-3-5-9-14/h3-10,16H,11H2,1-2H3,(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)=68.3177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.369 g/mol  logS: -3.88779  SlogP: 3.12081  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0923374  Sterimol/B1: 3.69989  Sterimol/B2: 3.99904  Sterimol/B3: 4.39727
  Sterimol/B4: 7.26259  Sterimol/L: 14.1605 
 
 Surface and Volume Properties
  Accessible surface: 568.114  Positive charged surface: 329.799  Negative charged surface: 238.315  Volume: 306.5
  Hydrophobic surface: 445.867  Hydrophilic surface: 122.247
 
 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


MMs00447518
AURORAFEINCHEMIE-ZINC00541503