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PUBCHEM-ZINC05923259

 MMsINC code: MMs03444977
Type: Neutral
Formula: C26H31NO
SMILES:   O(CCN(C)C)c1ccc(cc1)C(C(CC)c1ccccc1)c1ccccc1
InChI:   InChI=1/C26H31NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18,25-26H,4,19-20H2,1-3H3/t25-,26-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.54 g/mol  logS: -6.49735  SlogP: 5.9527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105569  Sterimol/B1: 2.4339  Sterimol/B2: 5.70471  Sterimol/B3: 6.27554
  Sterimol/B4: 7.94054  Sterimol/L: 17.2112 
 
 Surface and Volume Properties
  Accessible surface: 689.473  Positive charged surface: 500.274  Negative charged surface: 189.199  Volume: 408.625
  Hydrophobic surface: 662.449  Hydrophilic surface: 27.024
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03444978
PUBCHEM-ZINC05923259