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PUBCHEM-ZINC06579859

 MMsINC code: MMs03806765
Type: Neutral
Formula: C25H36N4
SMILES:   N1(CCN(CC1)CCCN1CCN(CC1)Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C25H36N4/c1-3-8-24(9-4-1)22-28-18-14-26(15-19-28)12-7-13-27-16-20-29(21-17-27)23-25-10-5-2-6-11-25/h1-6,8-11H,7,12-23H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.591 g/mol  logS: -3.21735  SlogP: 3.5449  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0719536  Sterimol/B1: 2.42064  Sterimol/B2: 3.11932  Sterimol/B3: 6.26424
  Sterimol/B4: 6.33654  Sterimol/L: 21.6738 
 
 Surface and Volume Properties
  Accessible surface: 747.482  Positive charged surface: 574.028  Negative charged surface: 173.454  Volume: 424.25
  Hydrophobic surface: 730.132  Hydrophilic surface: 17.35
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03806766
PUBCHEM-ZINC06579859