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FDA-ZINC03127406

 MMsINC code: MMs01725832
Type: Neutral
Formula: C8H12N2O3
SMILES:   O=C1NC(=O)NC(=O)C1(CC)CC
InChI:   InChI=1/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)

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Drug Similarity  
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Potential Energy
Epot(MMFF94)=-20.5655 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.195 g/mol  logS: -1.84369  SlogP: 0.1588  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.455129  Sterimol/B1: 3.03273  Sterimol/B2: 4.09302  Sterimol/B3: 4.13646
  Sterimol/B4: 5.74555  Sterimol/L: 9.72897 
 
 Surface and Volume Properties
  Accessible surface: 343.193  Positive charged surface: 200.339  Negative charged surface: 142.854  Volume: 166.25
  Hydrophobic surface: 151.8  Hydrophilic surface: 191.393
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.