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PUBCHEM-ZINC03689359

 MMsINC code: MMs03043032
Type: Neutral
Formula: C24H32N2O
SMILES:   O(C)c1c(cccc1C)-c1[nH]c2c(cccc2CCCC)c1CCCCN
InChI:   InChI=1/C24H32N2O/c1-4-5-11-18-12-9-14-19-20(13-6-7-16-25)23(26-22(18)19)21-15-8-10-17(2)24(21)27-3/h8-10,12,14-15,26H,4-7,11,13,16,25H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.0707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.533 g/mol  logS: -6.11687  SlogP: 5.77586  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.210069  Sterimol/B1: 2.28792  Sterimol/B2: 5.56805  Sterimol/B3: 7.30053
  Sterimol/B4: 7.40425  Sterimol/L: 16.3353 
 
 Surface and Volume Properties
  Accessible surface: 695.671  Positive charged surface: 508.958  Negative charged surface: 182.962  Volume: 398.625
  Hydrophobic surface: 588.119  Hydrophilic surface: 107.552
 
 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


MMs03043033
PUBCHEM-ZINC03689359