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NCID-ZINC01597995

 MMsINC code: MMs02251715
Type: Neutral
Formula: C10H12N2O3
SMILES:   OC(=O)C(NC(=O)c1ccc(N)cc1)C
InChI:   InChI=1/C10H12N2O3/c1-6(10(14)15)12-9(13)7-2-4-8(11)5-3-7/h2-6H,11H2,1H3,(H,12,13)(H,14,15)/t6-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.266 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.217 g/mol  logS: -1.57494  SlogP: 0.4717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0435162  Sterimol/B1: 2.27756  Sterimol/B2: 3.02952  Sterimol/B3: 3.64995
  Sterimol/B4: 4.63373  Sterimol/L: 13.7356 
 
 Surface and Volume Properties
  Accessible surface: 418.831  Positive charged surface: 253.015  Negative charged surface: 165.816  Volume: 193.625
  Hydrophobic surface: 209.824  Hydrophilic surface: 209.007
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs02251716
NCID-ZINC01597995