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PUBCHEM-ZINC06309653

 MMsINC code: MMs03669580
Type: Neutral
Formula: C23H30N2O2
SMILES:   O=C(NCC(=O)NC(c1ccccc1)c1ccccc1)C(CCC)CCC
InChI:   InChI=1/C23H30N2O2/c1-3-11-20(12-4-2)23(27)24-17-21(26)25-22(18-13-7-5-8-14-18)19-15-9-6-10-16-19/h5-10,13-16,20,22H,3-4,11-12,17H2,1-2H3,(H,24,27)(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.8949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.505 g/mol  logS: -5.94326  SlogP: 4.3203  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.064958  Sterimol/B1: 2.53495  Sterimol/B2: 3.39774  Sterimol/B3: 5.29076
  Sterimol/B4: 8.92616  Sterimol/L: 17.8665 
 
 Surface and Volume Properties
  Accessible surface: 710.64  Positive charged surface: 462.394  Negative charged surface: 248.246  Volume: 391
  Hydrophobic surface: 599.532  Hydrophilic surface: 111.108
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.