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CHEMBRIDGE-ZINC00471470

 MMsINC code: MMs00627064
Type: Neutral
Formula: C14H24N2O3
SMILES:   O(C(=O)C1CCN(CC1)C(=O)NC1CCCCC1)C
InChI:   InChI=1/C14H24N2O3/c1-19-13(17)11-7-9-16(10-8-11)14(18)15-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,15,18)

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Potential Energy
Epot(MMFF94)=1.10029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.357 g/mol  logS: -1.68651  SlogP: 1.9137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0792849  Sterimol/B1: 2.3065  Sterimol/B2: 3.53251  Sterimol/B3: 4.29819
  Sterimol/B4: 5.95639  Sterimol/L: 16.7232 
 
 Surface and Volume Properties
  Accessible surface: 525.722  Positive charged surface: 433.363  Negative charged surface: 92.3591  Volume: 269.625
  Hydrophobic surface: 457.311  Hydrophilic surface: 68.411
 
 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.