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PUBCHEM-ZINC06357307

 MMsINC code: MMs03683639
Type: Neutral
Formula: C18H32N2O3
SMILES:   O(C(C)(C)C)C(=O)N1CCCC1C(=O)NC1CCCCCCC1
InChI:   InChI=1/C18H32N2O3/c1-18(2,3)23-17(22)20-13-9-12-15(20)16(21)19-14-10-7-5-4-6-8-11-14/h14-15H,4-13H2,1-3H3,(H,19,21)/t15-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.465 g/mol  logS: -3.9421  SlogP: 3.615  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0874791  Sterimol/B1: 2.4769  Sterimol/B2: 3.30617  Sterimol/B3: 4.061
  Sterimol/B4: 8.55292  Sterimol/L: 15.6391 
 
 Surface and Volume Properties
  Accessible surface: 604.725  Positive charged surface: 457.122  Negative charged surface: 147.603  Volume: 336.125
  Hydrophobic surface: 515.583  Hydrophilic surface: 89.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.