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PUBCHEM-ZINC01412799

 MMsINC code: MMs02802706
Type: Neutral
Formula: C15H24N2O2
SMILES:   O=C1N(CC1)C1(CCCCC1)C(=O)NC1CCCC1
InChI:   InChI=1/C15H24N2O2/c18-13-8-11-17(13)15(9-4-1-5-10-15)14(19)16-12-6-2-3-7-12/h12H,1-11H2,(H,16,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.369 g/mol  logS: -2.28751  SlogP: 1.9804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164975  Sterimol/B1: 2.55691  Sterimol/B2: 3.46555  Sterimol/B3: 4.2328
  Sterimol/B4: 6.49756  Sterimol/L: 13.397 
 
 Surface and Volume Properties
  Accessible surface: 487.67  Positive charged surface: 306.697  Negative charged surface: 120.415  Volume: 271.25
  Hydrophobic surface: 424.033  Hydrophilic surface: 63.637
 
 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.