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NCID-ZINC01746767

 MMsINC code: MMs02360933
Type: Neutral
Formula: C20H23NO3
SMILES:   OC(=O)c1ccc(cc1)Cc1ccc(NC(=O)CCC(C)C)cc1
InChI:   InChI=1/C20H23NO3/c1-14(2)3-12-19(22)21-18-10-6-16(7-11-18)13-15-4-8-17(9-5-15)20(23)24/h4-11,14H,3,12-13H2,1-2H3,(H,21,22)(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.4983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.408 g/mol  logS: -5.42754  SlogP: 4.35027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.056302  Sterimol/B1: 2.69931  Sterimol/B2: 3.4039  Sterimol/B3: 4.68864
  Sterimol/B4: 5.94092  Sterimol/L: 19.6489 
 
 Surface and Volume Properties
  Accessible surface: 628.823  Positive charged surface: 399.918  Negative charged surface: 228.905  Volume: 328.375
  Hydrophobic surface: 448.538  Hydrophilic surface: 180.285
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02360934
NCID-ZINC01746767