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CHEMBRIDGE-ZINC00030457

 MMsINC code: MMs00583630
Type: Neutral
Formula: C14H25NO2
SMILES:   O1CCCC1CNC(=O)CCC1CCCCC1
InChI:   InChI=1/C14H25NO2/c16-14(15-11-13-7-4-10-17-13)9-8-12-5-2-1-3-6-12/h12-13H,1-11H2,(H,15,16)/t13-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.8065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.359 g/mol  logS: -3.65654  SlogP: 2.6421  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0437855  Sterimol/B1: 2.88447  Sterimol/B2: 3.26574  Sterimol/B3: 3.96409
  Sterimol/B4: 4.10233  Sterimol/L: 17.2135 
 
 Surface and Volume Properties
  Accessible surface: 517.56  Positive charged surface: 423.744  Negative charged surface: 93.8162  Volume: 258
  Hydrophobic surface: 460.89  Hydrophilic surface: 56.67
 
 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.