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IFLAB-ZINC02456520

 MMsINC code: MMs01989747
Type: Neutral
Formula: C11H18N2O4
SMILES:   OC(=O)CCCC(=O)N1CCN(CC1)C(=O)C
InChI:   InChI=1/C11H18N2O4/c1-9(14)12-5-7-13(8-6-12)10(15)3-2-4-11(16)17/h2-8H2,1H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=30.0373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.275 g/mol  logS: 0.15865  SlogP: -0.068  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0399455  Sterimol/B1: 2.07867  Sterimol/B2: 3.05058  Sterimol/B3: 3.13517
  Sterimol/B4: 5.73244  Sterimol/L: 16.2237 
 
 Surface and Volume Properties
  Accessible surface: 465.973  Positive charged surface: 337.091  Negative charged surface: 128.881  Volume: 229.25
  Hydrophobic surface: 297.655  Hydrophilic surface: 168.318
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs01989748
IFLAB-ZINC02456520