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COMGENEX-ZINC04591499

 MMsINC code: MMs01150881
Type: Neutral
Formula: C16H26N2O4
SMILES:   o1cc(cc1)C(=O)N(CCCC)CCC(=O)NCCCOC
InChI:   InChI=1/C16H26N2O4/c1-3-4-9-18(16(20)14-7-12-22-13-14)10-6-15(19)17-8-5-11-21-2/h7,12-13H,3-6,8-11H2,1-2H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=62.2722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.394 g/mol  logS: -2.46677  SlogP: 2.0647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0358848  Sterimol/B1: 2.32711  Sterimol/B2: 2.48655  Sterimol/B3: 3.94587
  Sterimol/B4: 9.49893  Sterimol/L: 18.86 
 
 Surface and Volume Properties
  Accessible surface: 620.779  Positive charged surface: 437.568  Negative charged surface: 183.211  Volume: 317.25
  Hydrophobic surface: 501.01  Hydrophilic surface: 119.769
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.