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FDA-ZINC03650895

 MMsINC code: MMs01725855
Type: Neutral
Formula: C12H16N2O3
SMILES:   O=C1NC(=O)NC(=O)C1(CC)C=1CCCCC=1
InChI:   InChI=1/C12H16N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17)

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Drug Similarity  
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Potential Energy
Epot(MMFF94)=9.15277 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.271 g/mol  logS: -3.08669  SlogP: 1.2492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190606  Sterimol/B1: 2.54668  Sterimol/B2: 4.10428  Sterimol/B3: 4.12125
  Sterimol/B4: 6.41664  Sterimol/L: 11.1813 
 
 Surface and Volume Properties
  Accessible surface: 417.655  Positive charged surface: 263.56  Negative charged surface: 154.094  Volume: 218.125
  Hydrophobic surface: 234.514  Hydrophilic surface: 183.141
 
 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.