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FDA-ZINC00968296

 MMsINC code: MMs01725405
Type: Neutral
Formula: C11H18N2O3
SMILES:   O=C1NC(=O)NC(=O)C1(C(CCC)C)CC
InChI:   InChI=1/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)/t7-/m0/s1

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Drug Similarity  
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Potential Energy
Epot(MMFF94)=1.40267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.276 g/mol  logS: -3.38935  SlogP: 1.185  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196151  Sterimol/B1: 3.43054  Sterimol/B2: 4.27325  Sterimol/B3: 4.56153
  Sterimol/B4: 4.5632  Sterimol/L: 12.3986 
 
 Surface and Volume Properties
  Accessible surface: 414.462  Positive charged surface: 257.064  Negative charged surface: 157.397  Volume: 215.625
  Hydrophobic surface: 206.833  Hydrophilic surface: 207.629
 
 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.