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NCID-ZINC05714058

 MMsINC code: MMs02488644
Type: Neutral
Formula: C23H28N2O3
SMILES:   O(C(C)(C)C)C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H28N2O3/c1-23(2,3)28-22(27)25-16-10-15-19(25)21(26)24-20(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19-20H,10,15-16H2,1-3H3,(H,24,26)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.4446 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.488 g/mol  logS: -4.97632  SlogP: 4.3872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102776  Sterimol/B1: 2.57159  Sterimol/B2: 5.24147  Sterimol/B3: 5.51026
  Sterimol/B4: 7.60762  Sterimol/L: 17.107 
 
 Surface and Volume Properties
  Accessible surface: 671.27  Positive charged surface: 440.895  Negative charged surface: 230.374  Volume: 390
  Hydrophobic surface: 591.555  Hydrophilic surface: 79.715
 
 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.