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CHEMBRIDGE-ZINC04271424

 MMsINC code: MMs00767054
Type: Neutral
Formula: C23H38N4
SMILES:   N1(CCC(N2CCN(CC2)CC)CC1)C1CCN(CC1)Cc1ccccc1
InChI:   InChI=1/C23H38N4/c1-2-24-16-18-27(19-17-24)23-10-14-26(15-11-23)22-8-12-25(13-9-22)20-21-6-4-3-5-7-21/h3-7,22-23H,2,8-20H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.5732 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.585 g/mol  logS: -2.53081  SlogP: 3.0193  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0615093  Sterimol/B1: 3.17143  Sterimol/B2: 4.36786  Sterimol/B3: 4.43877
  Sterimol/B4: 5.63257  Sterimol/L: 20.5861 
 
 Surface and Volume Properties
  Accessible surface: 684.741  Positive charged surface: 555.416  Negative charged surface: 129.324  Volume: 403
  Hydrophobic surface: 651.884  Hydrophilic surface: 32.857
 
 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


MMs00767055
CHEMBRIDGE-ZINC04271424