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FDA-ZINC03830347

 MMsINC code: MMs01726136
Type: Neutral
Formula: C11H16N2O3
SMILES:   O=C1NC(=O)NC(=O)C1(CC(C)C)CC=C
InChI:   InChI=1/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)

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Drug Similarity  
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Potential Energy
Epot(MMFF94)=6.78463 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.26 g/mol  logS: -3.03675  SlogP: 0.961  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.240864  Sterimol/B1: 3.61425  Sterimol/B2: 4.28847  Sterimol/B3: 4.37475
  Sterimol/B4: 4.5274  Sterimol/L: 11.8493 
 
 Surface and Volume Properties
  Accessible surface: 407.564  Positive charged surface: 236.579  Negative charged surface: 170.985  Volume: 210.875
  Hydrophobic surface: 188.645  Hydrophilic surface: 218.919
 
 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.