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PUBCHEM-ZINC02008186

 MMsINC code: MMs02847540
Type: Neutral
Formula: C23H30N2
SMILES:   N1(CCCCC1)CCCN1CC(c2c1cccc2)(C)c1ccccc1
InChI:   InChI=1/C23H30N2/c1-23(20-11-4-2-5-12-20)19-25(22-14-7-6-13-21(22)23)18-10-17-24-15-8-3-9-16-24/h2,4-7,11-14H,3,8-10,15-19H2,1H3/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.507 g/mol  logS: -4.1942  SlogP: 4.6886  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137373  Sterimol/B1: 3.08007  Sterimol/B2: 4.88088  Sterimol/B3: 5.69301
  Sterimol/B4: 6.53981  Sterimol/L: 15.5596 
 
 Surface and Volume Properties
  Accessible surface: 615.755  Positive charged surface: 451.764  Negative charged surface: 163.992  Volume: 360.75
  Hydrophobic surface: 583.843  Hydrophilic surface: 31.912
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02847541
PUBCHEM-ZINC02008186