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CHEMDIV-ZINC00201534

 MMsINC code: MMs00838594
Type: Neutral
Formula: C14H16N2O3
SMILES:   OC(=O)c1[nH]c2c(cccc2)c1CC(=O)NC(C)C
InChI:   InChI=1/C14H16N2O3/c1-8(2)15-12(17)7-10-9-5-3-4-6-11(9)16-13(10)14(18)19/h3-6,8,16H,7H2,1-2H3,(H,15,17)(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.293 g/mol  logS: -2.65912  SlogP: 1.93317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0714439  Sterimol/B1: 2.95409  Sterimol/B2: 3.47199  Sterimol/B3: 5.39325
  Sterimol/B4: 6.0425  Sterimol/L: 13.7745 
 
 Surface and Volume Properties
  Accessible surface: 489.997  Positive charged surface: 306.703  Negative charged surface: 180.517  Volume: 250.375
  Hydrophobic surface: 305.48  Hydrophilic surface: 184.517
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00838595
CHEMDIV-ZINC00201534