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FDA-ZINC03831496

 MMsINC code: MMs01727397
Type: Neutral
Formula: C11H16N2O3
SMILES:   O=C1NC(=O)NC(=O)C1(C(CC)C)CC=C
InChI:   InChI=1/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)/t7-/m1/s1

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Drug Similarity  
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Potential Energy
Epot(MMFF94)=6.16105 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: 0.270139  Sterimol/B1: 3.44369  Sterimol/B2: 4.06182  Sterimol/B3: 4.72175
  Sterimol/B4: 5.28326  Sterimol/L: 11.7422 
 
 Surface and Volume Properties
  Accessible surface: 402.039  Positive charged surface: 231.432  Negative charged surface: 170.606  Volume: 210.875
  Hydrophobic surface: 177.226  Hydrophilic surface: 224.813
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.