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ASINEX-ZINC00783127

 MMsINC code: MMs00162105
Type: Neutral
Formula: C28H40N4
SMILES:   N1(CCN(CC1)C1CCN(CC1)Cc1ccccc1)C1CCN(CC1)Cc1ccccc1
InChI:   InChI=1/C28H40N4/c1-3-7-25(8-4-1)23-29-15-11-27(12-16-29)31-19-21-32(22-20-31)28-13-17-30(18-14-28)24-26-9-5-2-6-10-26/h1-10,27-28H,11-24H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 432.656 g/mol  logS: -3.9715  SlogP: 4.466  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0634377  Sterimol/B1: 2.61097  Sterimol/B2: 3.77318  Sterimol/B3: 6.00119
  Sterimol/B4: 7.35539  Sterimol/L: 20.7451 
 
 Surface and Volume Properties
  Accessible surface: 773.464  Positive charged surface: 582.582  Negative charged surface: 190.881  Volume: 462.375
  Hydrophobic surface: 758.93  Hydrophilic surface: 14.534
 
 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: 0
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Ions/Tautomers related molecules


MMs00162106
ASINEX-ZINC00783127