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CHEMBRIDGE-ZINC04981055

 MMsINC code: MMs00818379
Type: Neutral
Formula: C24H28N2O
SMILES:   O(C)c1c2c(cccc2)c(cc1)CN1CCN(CC1)c1cc(ccc1C)C
InChI:   InChI=1/C24H28N2O/c1-18-8-9-19(2)23(16-18)26-14-12-25(13-15-26)17-20-10-11-24(27-3)22-7-5-4-6-21(20)22/h4-11,16H,12-15,17H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=169.215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.501 g/mol  logS: -5.68957  SlogP: 5.05384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140779  Sterimol/B1: 2.65287  Sterimol/B2: 2.99384  Sterimol/B3: 6.24649
  Sterimol/B4: 7.57654  Sterimol/L: 16.9422 
 
 Surface and Volume Properties
  Accessible surface: 652.538  Positive charged surface: 459.94  Negative charged surface: 184.039  Volume: 381.75
  Hydrophobic surface: 632.26  Hydrophilic surface: 20.278
 
 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


MMs00818380
CHEMBRIDGE-ZINC04981055