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PUBCHEM-ZINC02032385

 MMsINC code: MMs02859363
Type: Neutral
Formula: C25H26N2
SMILES:   [nH]1c2c(cc1CCNCCC(c1ccccc1)c1ccccc1)cccc2
InChI:   InChI=1/C25H26N2/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)16-18-26-17-15-23-19-22-13-7-8-14-25(22)27-23/h1-14,19,24,26-27H,15-18H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.9949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.497 g/mol  logS: -5.30327  SlogP: 5.52217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.062725  Sterimol/B1: 2.55223  Sterimol/B2: 3.84144  Sterimol/B3: 3.9871
  Sterimol/B4: 7.92348  Sterimol/L: 20.1235 
 
 Surface and Volume Properties
  Accessible surface: 693.757  Positive charged surface: 431.57  Negative charged surface: 256.519  Volume: 380.125
  Hydrophobic surface: 651.622  Hydrophilic surface: 42.135
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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


MMs02859364
PUBCHEM-ZINC02032385