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NCID-ZINC01748805

 MMsINC code: MMs02361552
Type: Neutral
Formula: C19H23NO2
SMILES:   O(Cc1ccccc1)c1ccc(cc1)C(=O)CCNC(C)C
InChI:   InChI=1/C19H23NO2/c1-15(2)20-13-12-19(21)17-8-10-18(11-9-17)22-14-16-6-4-3-5-7-16/h3-11,15,20H,12-14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.4647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.398 g/mol  logS: -3.81135  SlogP: 4.1028  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0325278  Sterimol/B1: 2.25998  Sterimol/B2: 2.96475  Sterimol/B3: 4.21068
  Sterimol/B4: 6.2402  Sterimol/L: 20.8993 
 
 Surface and Volume Properties
  Accessible surface: 611.291  Positive charged surface: 386.156  Negative charged surface: 225.135  Volume: 314.25
  Hydrophobic surface: 513.022  Hydrophilic surface: 98.269
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02361553
NCID-ZINC01748805