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NCID-ZINC01654244

 MMsINC code: MMs02293057
Type: Neutral
Formula: C11H20N2O3
SMILES:   OC(=O)C(NC(=O)C1(N)CCCC1)C(C)C
InChI:   InChI=1/C11H20N2O3/c1-7(2)8(9(14)15)13-10(16)11(12)5-3-4-6-11/h7-8H,3-6,12H2,1-2H3,(H,13,16)(H,14,15)/t8-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.9488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.13698  SlogP: 0.4833  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163384  Sterimol/B1: 2.46685  Sterimol/B2: 2.89905  Sterimol/B3: 4.00192
  Sterimol/B4: 6.12865  Sterimol/L: 12.4416 
 
 Surface and Volume Properties
  Accessible surface: 429.719  Positive charged surface: 295.464  Negative charged surface: 134.255  Volume: 226.5
  Hydrophobic surface: 249.373  Hydrophilic surface: 180.346
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02293058
NCID-ZINC01654244