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PUBCHEM-ZINC04600587

 MMsINC code: MMs03140430
Type: Neutral
Formula: C26H30N2O2
SMILES:   O(C)c1ccc(OC)cc1CN1CCN(CC1)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C26H30N2O2/c1-29-24-13-14-25(30-2)23(19-24)20-27-15-17-28(18-16-27)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,26H,15-18,20H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=153.479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.538 g/mol  logS: -4.93962  SlogP: 4.9729  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114091  Sterimol/B1: 2.38124  Sterimol/B2: 3.784  Sterimol/B3: 5.95794
  Sterimol/B4: 7.44184  Sterimol/L: 17.9931 
 
 Surface and Volume Properties
  Accessible surface: 707.193  Positive charged surface: 512.09  Negative charged surface: 195.103  Volume: 419.125
  Hydrophobic surface: 688.643  Hydrophilic surface: 18.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs03140431
PUBCHEM-ZINC04600587