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APOLLO-ZINC00154091

 MMsINC code: MMs00044242
Type: Neutral
Formula: C13H24N2O2
SMILES:   O(C(C)(C)C)C(=O)N1CCC(NC2CC2)CC1
InChI:   InChI=1/C13H24N2O2/c1-13(2,3)17-12(16)15-8-6-11(7-9-15)14-10-4-5-10/h10-11,14H,4-9H2,1-3H3

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Potential Energy
Epot(MMFF94)=18.8329 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.347 g/mol  logS: -1.58727  SlogP: 2.1379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0714235  Sterimol/B1: 2.08177  Sterimol/B2: 3.96513  Sterimol/B3: 4.23537
  Sterimol/B4: 5.1052  Sterimol/L: 15.2582 
 
 Surface and Volume Properties
  Accessible surface: 509.313  Positive charged surface: 385.964  Negative charged surface: 123.349  Volume: 258.5
  Hydrophobic surface: 383.936  Hydrophilic surface: 125.377
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs00044243
APOLLO-ZINC00154091