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PUBCHEM-ZINC04673109

 MMsINC code: MMs03151794
Type: Neutral
Formula: C25H24N2O2
SMILES:   O(c1cc2cc([nH]c2cc1)C(=O)NC(CCc1ccccc1)C)c1ccccc1
InChI:   InChI=1/C25H24N2O2/c1-18(12-13-19-8-4-2-5-9-19)26-25(28)24-17-20-16-22(14-15-23(20)27-24)29-21-10-6-3-7-11-21/h2-11,14-18,27H,12-13H2,1H3,(H,26,28)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.7725 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.479 g/mol  logS: -6.11489  SlogP: 5.71127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0646873  Sterimol/B1: 2.18105  Sterimol/B2: 4.22754  Sterimol/B3: 4.49301
  Sterimol/B4: 8.60404  Sterimol/L: 20.9446 
 
 Surface and Volume Properties
  Accessible surface: 706.471  Positive charged surface: 401.891  Negative charged surface: 300.667  Volume: 392.125
  Hydrophobic surface: 630.617  Hydrophilic surface: 75.854
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.