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PUBCHEM-ZINC02038028

 MMsINC code: MMs02862368
Type: Neutral
Formula: C24H23N
SMILES:   N1(CCc2c(C1)cccc2)CC=C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H23N/c1-3-10-21(11-4-1)24(22-12-5-2-6-13-22)16-18-25-17-15-20-9-7-8-14-23(20)19-25/h1-14,16H,15,17-19H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.0111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.455 g/mol  logS: -5.49141  SlogP: 5.26026  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103513  Sterimol/B1: 2.48248  Sterimol/B2: 3.52223  Sterimol/B3: 4.28823
  Sterimol/B4: 9.59469  Sterimol/L: 15.7816 
 
 Surface and Volume Properties
  Accessible surface: 618.659  Positive charged surface: 377.823  Negative charged surface: 240.836  Volume: 350.375
  Hydrophobic surface: 605.566  Hydrophilic surface: 13.093
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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


MMs02862369
PUBCHEM-ZINC02038028