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NCID-ZINC01710424

 MMsINC code: MMs02337586
Type: Neutral
Formula: C14H18N2O4
SMILES:   OC(=O)c1ccccc1C(=O)NC(CC(C)C)C(=O)N
InChI:   InChI=1/C14H18N2O4/c1-8(2)7-11(12(15)17)16-13(18)9-5-3-4-6-10(9)14(19)20/h3-6,8,11H,7H2,1-2H3,(H2,15,17)(H,16,18)(H,19,20)/t11-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.0769 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.308 g/mol  logS: -3.33839  SlogP: 1.0146  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0772604  Sterimol/B1: 1.97954  Sterimol/B2: 4.25376  Sterimol/B3: 4.71849
  Sterimol/B4: 6.28781  Sterimol/L: 13.3374 
 
 Surface and Volume Properties
  Accessible surface: 500.025  Positive charged surface: 314.297  Negative charged surface: 185.728  Volume: 263.625
  Hydrophobic surface: 268.984  Hydrophilic surface: 231.041
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02337587
NCID-ZINC01710424