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PUBCHEM-ZINC03032835

 MMsINC code: MMs02983352
Type: Neutral
Formula: C19H29NO3
SMILES:   O(C(=O)C(NC(=O)c1ccccc1)CCCCCCC(C)C)C
InChI:   InChI=1/C19H29NO3/c1-15(2)11-7-4-5-10-14-17(19(22)23-3)20-18(21)16-12-8-6-9-13-16/h6,8-9,12-13,15,17H,4-5,7,10-11,14H2,1-3H3,(H,20,21)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.6601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.445 g/mol  logS: -6.0747  SlogP: 3.9546  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0423604  Sterimol/B1: 3.41272  Sterimol/B2: 3.76628  Sterimol/B3: 6.73216
  Sterimol/B4: 7.27238  Sterimol/L: 17.5108 
 
 Surface and Volume Properties
  Accessible surface: 661.437  Positive charged surface: 471.481  Negative charged surface: 189.956  Volume: 343.25
  Hydrophobic surface: 559.306  Hydrophilic surface: 102.131
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.