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CHEMBRIDGE-ZINC04745525

 MMsINC code: MMs00782572
Type: Neutral
Formula: C23H37N3
SMILES:   N1(CCC(N2CCCCCC2)CC1)C1CCN(CC1)Cc1ccccc1
InChI:   InChI=1/C23H37N3/c1-2-7-15-25(14-6-1)23-12-18-26(19-13-23)22-10-16-24(17-11-22)20-21-8-4-3-5-9-21/h3-5,8-9,22-23H,1-2,6-7,10-20H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.2607 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.57 g/mol  logS: -3.11279  SlogP: 4.2578  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0691798  Sterimol/B1: 2.43329  Sterimol/B2: 3.52034  Sterimol/B3: 4.92339
  Sterimol/B4: 7.18593  Sterimol/L: 18.853 
 
 Surface and Volume Properties
  Accessible surface: 656.537  Positive charged surface: 518.034  Negative charged surface: 138.504  Volume: 387.5
  Hydrophobic surface: 647.86  Hydrophilic surface: 8.677
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs00782573
CHEMBRIDGE-ZINC04745525