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AURORAFEINCHEMIE-ZINC02431367

 MMsINC code: MMs00453457
Type: Neutral
Formula: C18H20N2O3
SMILES:   OC(=O)C(NC(=O)NC(C)c1ccccc1)Cc1ccccc1
InChI:   InChI=1/C18H20N2O3/c1-13(15-10-6-3-7-11-15)19-18(23)20-16(17(21)22)12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3,(H,21,22)(H2,19,20,23)/t13-,16+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.5304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.369 g/mol  logS: -3.52465  SlogP: 2.83817  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.1148  Sterimol/B1: 2.18871  Sterimol/B2: 4.42079  Sterimol/B3: 5.84138
  Sterimol/B4: 7.28689  Sterimol/L: 15.227 
 
 Surface and Volume Properties
  Accessible surface: 588.483  Positive charged surface: 335.376  Negative charged surface: 253.106  Volume: 308.5
  Hydrophobic surface: 446.375  Hydrophilic surface: 142.108
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00453458
AURORAFEINCHEMIE-ZINC02431367