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PUBCHEM-ZINC05503137

 MMsINC code: MMs03289998
Type: Neutral
Formula: C11H12N2O3
SMILES:   OC(=O)\C(=N\NC(=O)Cc1ccccc1)\C
InChI:   InChI=1/C11H12N2O3/c1-8(11(15)16)12-13-10(14)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,14)(H,15,16)/b12-8-

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Potential Energy
Epot(MMFF94)=72.8362 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.228 g/mol  logS: -2.13372  SlogP: 0.80577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0755075  Sterimol/B1: 2.37727  Sterimol/B2: 3.56039  Sterimol/B3: 3.68982
  Sterimol/B4: 5.70726  Sterimol/L: 14.3293 
 
 Surface and Volume Properties
  Accessible surface: 448.985  Positive charged surface: 267.899  Negative charged surface: 181.086  Volume: 208
  Hydrophobic surface: 302.08  Hydrophilic surface: 146.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs03289999
PUBCHEM-ZINC05503137