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CHEMBRIDGE-ZINC00475745

 MMsINC code: MMs00629073
Type: Neutral
Formula: C18H32N2O2
SMILES:   O=C(N1CC(CC(C1)C)C)CCC(=O)N1CC(CC(C1)C)C
InChI:   InChI=1/C18H32N2O2/c1-13-7-14(2)10-19(9-13)17(21)5-6-18(22)20-11-15(3)8-16(4)12-20/h13-16H,5-12H2,1-4H3/t13-,14-,15-,16+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.5877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.466 g/mol  logS: -1.80292  SlogP: 2.7756  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0403207  Sterimol/B1: 2.17044  Sterimol/B2: 3.32865  Sterimol/B3: 3.68532
  Sterimol/B4: 7.21863  Sterimol/L: 17.4502 
 
 Surface and Volume Properties
  Accessible surface: 595.084  Positive charged surface: 462.543  Negative charged surface: 132.542  Volume: 331.25
  Hydrophobic surface: 457.078  Hydrophilic surface: 138.006
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.