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PUBCHEM-ZINC05295184

 MMsINC code: MMs03234387
Type: Neutral
Formula: C23H28N2O3
SMILES:   O(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)N1CCCCCC1
InChI:   InChI=1/C23H28N2O3/c26-22(25-15-9-1-2-10-16-25)21(17-19-11-5-3-6-12-19)24-23(27)28-18-20-13-7-4-8-14-20/h3-8,11-14,21H,1-2,9-10,15-18H2,(H,24,27)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.8143 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.488 g/mol  logS: -4.4597  SlogP: 4.19307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0637765  Sterimol/B1: 2.30475  Sterimol/B2: 3.54521  Sterimol/B3: 3.7543
  Sterimol/B4: 8.86233  Sterimol/L: 17.8925 
 
 Surface and Volume Properties
  Accessible surface: 649.434  Positive charged surface: 424.722  Negative charged surface: 224.713  Volume: 383.5
  Hydrophobic surface: 581.655  Hydrophilic surface: 67.779
 
 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.