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MAYBRIDGE-ZINC00157723

 MMsINC code: MMs02143398
Type: Neutral
Formula: C15H26N2O3
SMILES:   O(CC)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1
InChI:   InChI=1/C15H26N2O3/c1-2-20-15(19)17-10-8-13(9-11-17)16-14(18)12-6-4-3-5-7-12/h12-13H,2-11H2,1H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=-0.528047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.384 g/mol  logS: -2.64062  SlogP: 2.3038  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0605691  Sterimol/B1: 2.27429  Sterimol/B2: 3.33168  Sterimol/B3: 3.69757
  Sterimol/B4: 6.57362  Sterimol/L: 17.4467 
 
 Surface and Volume Properties
  Accessible surface: 559.79  Positive charged surface: 448.451  Negative charged surface: 111.339  Volume: 287.25
  Hydrophobic surface: 468.143  Hydrophilic surface: 91.647
 
 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: no related molecules available.