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PUBCHEM-ZINC00303380

 MMsINC code: MMs02652071
Type: Neutral
Formula: C16H23NO3
SMILES:   O(C(=O)C(NC(=O)c1cc(C)c(cc1)C)CC(C)C)C
InChI:   InChI=1/C16H23NO3/c1-10(2)8-14(16(19)20-5)17-15(18)13-7-6-11(3)12(4)9-13/h6-7,9-10,14H,8H2,1-5H3,(H,17,18)/t14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.6146 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.364 g/mol  logS: -4.44644  SlogP: 2.62094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0591474  Sterimol/B1: 3.30367  Sterimol/B2: 3.71435  Sterimol/B3: 4.06098
  Sterimol/B4: 5.21125  Sterimol/L: 15.2382 
 
 Surface and Volume Properties
  Accessible surface: 553.479  Positive charged surface: 371.596  Negative charged surface: 181.883  Volume: 288
  Hydrophobic surface: 452.554  Hydrophilic surface: 100.925
 
 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.