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CHEMBRIDGE-ZINC02845178

 MMsINC code: MMs00725427
Type: Neutral
Formula: C24H25NO
SMILES:   O(CCCN1CCc2c(C1)cccc2)c1ccccc1-c1ccccc1
InChI:   InChI=1/C24H25NO/c1-2-10-21(11-3-1)23-13-6-7-14-24(23)26-18-8-16-25-17-15-20-9-4-5-12-22(20)19-25/h1-7,9-14H,8,15-19H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.3996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.47 g/mol  logS: -5.91307  SlogP: 5.44717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0474363  Sterimol/B1: 2.54078  Sterimol/B2: 3.17429  Sterimol/B3: 3.93814
  Sterimol/B4: 9.41861  Sterimol/L: 17.6207 
 
 Surface and Volume Properties
  Accessible surface: 649.523  Positive charged surface: 418.834  Negative charged surface: 225.902  Volume: 366.625
  Hydrophobic surface: 645  Hydrophilic surface: 4.523
 
 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


MMs00725428
CHEMBRIDGE-ZINC02845178