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PUBCHEM-ZINC01652489

 MMsINC code: MMs02817835
Type: Neutral
Formula: C23H26N2O2
SMILES:   O1CCN(CC1)CCn1c-2c(CCc3c-2cccc3)c2cc(OC)ccc12
InChI:   InChI=1/C23H26N2O2/c1-26-18-7-9-22-21(16-18)20-8-6-17-4-2-3-5-19(17)23(20)25(22)11-10-24-12-14-27-15-13-24/h2-5,7,9,16H,6,8,10-15H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.473 g/mol  logS: -4.73607  SlogP: 4.01404  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0624171  Sterimol/B1: 1.98033  Sterimol/B2: 3.34049  Sterimol/B3: 3.34074
  Sterimol/B4: 11.2881  Sterimol/L: 15.3122 
 
 Surface and Volume Properties
  Accessible surface: 619.867  Positive charged surface: 467.648  Negative charged surface: 146.655  Volume: 367.125
  Hydrophobic surface: 590.639  Hydrophilic surface: 29.228
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs02817836
PUBCHEM-ZINC01652489