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PUBCHEM-ZINC02000654

 MMsINC code: MMs02842950
Type: Neutral
Formula: C25H34N2
SMILES:   N1(CCc2c(C1)cccc2)CCCCCCCN1CCc2c(C1)cccc2
InChI:   InChI=1/C25H34N2/c1(2-8-16-26-18-14-22-10-4-6-12-24(22)20-26)3-9-17-27-19-15-23-11-5-7-13-25(23)21-27/h4-7,10-13H,1-3,8-9,14-21H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.9352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.561 g/mol  logS: -4.61216  SlogP: 5.58624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0371978  Sterimol/B1: 2.57099  Sterimol/B2: 3.33355  Sterimol/B3: 4.29664
  Sterimol/B4: 5.99451  Sterimol/L: 22.3559 
 
 Surface and Volume Properties
  Accessible surface: 724.177  Positive charged surface: 534.519  Negative charged surface: 189.658  Volume: 397.375
  Hydrophobic surface: 716.04  Hydrophilic surface: 8.1370000000001
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02842951
PUBCHEM-ZINC02000654