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PUBCHEM-ZINC05999278

 MMsINC code: MMs03483352
Type: Neutral
Formula: C18H26N2O3
SMILES:   OC(=O)C(NC(=O)NC1CCCCCCC1)Cc1ccccc1
InChI:   InChI=1/C18H26N2O3/c21-17(22)16(13-14-9-5-4-6-10-14)20-18(23)19-15-11-7-2-1-3-8-12-15/h4-6,9-10,15-16H,1-3,7-8,11-13H2,(H,21,22)(H2,19,20,23)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.417 g/mol  logS: -3.93112  SlogP: 3.09437  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.128451  Sterimol/B1: 2.54409  Sterimol/B2: 4.10011  Sterimol/B3: 4.10935
  Sterimol/B4: 9.09369  Sterimol/L: 14.0005 
 
 Surface and Volume Properties
  Accessible surface: 583.723  Positive charged surface: 383.753  Negative charged surface: 199.97  Volume: 319.875
  Hydrophobic surface: 460.303  Hydrophilic surface: 123.42
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs03483353
PUBCHEM-ZINC05999278