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PUBCHEM-ZINC03686999

 MMsINC code: MMs03041772
Type: Neutral
Formula: C24H26N2O
SMILES:   O(C)c1cc2c([nH]c(-c3c4c(cccc4)c(cc3)C)c2CCCCN)cc1
InChI:   InChI=1/C24H26N2O/c1-16-10-12-21(19-8-4-3-7-18(16)19)24-20(9-5-6-14-25)22-15-17(27-2)11-13-23(22)26-24/h3-4,7-8,10-13,15,26H,5-6,9,14,25H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.485 g/mol  logS: -6.60207  SlogP: 5.58649  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159341  Sterimol/B1: 3.30757  Sterimol/B2: 3.36294  Sterimol/B3: 6.48838
  Sterimol/B4: 9.21061  Sterimol/L: 16.8923 
 
 Surface and Volume Properties
  Accessible surface: 658.075  Positive charged surface: 454.285  Negative charged surface: 193.767  Volume: 374.25
  Hydrophobic surface: 558.795  Hydrophilic surface: 99.28
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03041773
PUBCHEM-ZINC03686999