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CHEMBRIDGE-ZINC04903423

 MMsINC code: MMs00810018
Type: Neutral
Formula: C16H24N2O2
SMILES:   O1CCN(CC1)CCNC(=O)c1ccc(cc1)C(C)C
InChI:   InChI=1/C16H24N2O2/c1-13(2)14-3-5-15(6-4-14)16(19)17-7-8-18-9-11-20-12-10-18/h3-6,13H,7-12H2,1-2H3,(H,17,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.7759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.38 g/mol  logS: -3.22474  SlogP: 1.872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.03553  Sterimol/B1: 2.48765  Sterimol/B2: 2.52385  Sterimol/B3: 4.65843
  Sterimol/B4: 5.52283  Sterimol/L: 17.5728 
 
 Surface and Volume Properties
  Accessible surface: 560.599  Positive charged surface: 420.496  Negative charged surface: 140.103  Volume: 289.25
  Hydrophobic surface: 462.256  Hydrophilic surface: 98.343
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00810019
CHEMBRIDGE-ZINC04903423