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PUBCHEM-ZINC03642569

 MMsINC code: MMs03031862
Type: Neutral
Formula: C15H16N2O2
SMILES:   OC(=O)c1ccccc1Nc1cc(N(C)C)ccc1
InChI:   InChI=1/C15H16N2O2/c1-17(2)12-7-5-6-11(10-12)16-14-9-4-3-8-13(14)15(18)19/h3-10,16H,1-2H3,(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.776 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.305 g/mol  logS: -2.90201  SlogP: 3.1944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125174  Sterimol/B1: 3.30099  Sterimol/B2: 4.05872  Sterimol/B3: 4.23971
  Sterimol/B4: 4.6343  Sterimol/L: 14.6198 
 
 Surface and Volume Properties
  Accessible surface: 484.906  Positive charged surface: 340.641  Negative charged surface: 144.266  Volume: 253
  Hydrophobic surface: 389.193  Hydrophilic surface: 95.713
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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


MMs03031863
PUBCHEM-ZINC03642569