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PUBCHEM-ZINC02006767

 MMsINC code: MMs02846760
Type: Neutral
Formula: C16H26N2O2
SMILES:   O(CCCC)c1ccc(NC(=O)CN(CC)CC)cc1
InChI:   InChI=1/C16H26N2O2/c1-4-7-12-20-15-10-8-14(9-11-15)17-16(19)13-18(5-2)6-3/h8-11H,4-7,12-13H2,1-3H3,(H,17,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.7665 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.396 g/mol  logS: -3.23386  SlogP: 3.1458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0338449  Sterimol/B1: 3.33916  Sterimol/B2: 3.77127  Sterimol/B3: 4.08063
  Sterimol/B4: 4.38723  Sterimol/L: 19.9315 
 
 Surface and Volume Properties
  Accessible surface: 592.631  Positive charged surface: 437.902  Negative charged surface: 154.729  Volume: 299.875
  Hydrophobic surface: 483.498  Hydrophilic surface: 109.133
 
 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


MMs02846761
PUBCHEM-ZINC02006767