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PUBCHEM-ZINC05950660

 MMsINC code: MMs03457255
Type: Neutral
Formula: C26H29NO
SMILES:   O(CCN(C)C)c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)CC
InChI:   InChI=1/C26H29NO/c1-4-25(21-15-17-24(18-16-21)28-20-19-27(2)3)26(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-18H,4,19-20H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.524 g/mol  logS: -6.83044  SlogP: 5.81339  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0890628  Sterimol/B1: 2.45673  Sterimol/B2: 2.76581  Sterimol/B3: 5.62502
  Sterimol/B4: 9.43664  Sterimol/L: 19.1695 
 
 Surface and Volume Properties
  Accessible surface: 690.15  Positive charged surface: 492.813  Negative charged surface: 197.337  Volume: 406.625
  Hydrophobic surface: 664.647  Hydrophilic surface: 25.503
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03457256
PUBCHEM-ZINC05950660