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PUBCHEM-ZINC06096295

 MMsINC code: MMs03542394
Type: Neutral
Formula: C24H34N4
SMILES:   N1(CCN(CC1)CCN1CCN(CC1)Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C24H34N4/c1-3-7-23(8-4-1)21-27-17-13-25(14-18-27)11-12-26-15-19-28(20-16-26)22-24-9-5-2-6-10-24/h1-10H,11-22H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.695 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.564 g/mol  logS: -3.01558  SlogP: 3.1548  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0709029  Sterimol/B1: 2.47462  Sterimol/B2: 3.47972  Sterimol/B3: 5.07312
  Sterimol/B4: 7.5206  Sterimol/L: 18.5568 
 
 Surface and Volume Properties
  Accessible surface: 718.713  Positive charged surface: 546.691  Negative charged surface: 172.022  Volume: 405.875
  Hydrophobic surface: 701.408  Hydrophilic surface: 17.305
 
 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


MMs03542395
PUBCHEM-ZINC06096295