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PUBCHEM-ZINC05763160

 MMsINC code: MMs03376422
Type: Neutral
Formula: C24H25N
SMILES:   N(C(Cc1ccccc1)C)C1Cc2c(Cc3c1cccc3)cccc2
InChI:   InChI=1/C24H25N/c1-18(15-19-9-3-2-4-10-19)25-24-17-21-12-6-5-11-20(21)16-22-13-7-8-14-23(22)24/h2-14,18,24-25H,15-17H2,1H3/t18-,24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.2537 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.471 g/mol  logS: -5.58221  SlogP: 5.19081  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.27805  Sterimol/B1: 2.26022  Sterimol/B2: 4.08188  Sterimol/B3: 7.5303
  Sterimol/B4: 7.86088  Sterimol/L: 12.68 
 
 Surface and Volume Properties
  Accessible surface: 585.915  Positive charged surface: 348.275  Negative charged surface: 237.64  Volume: 351.75
  Hydrophobic surface: 565.671  Hydrophilic surface: 20.244
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03376423
PUBCHEM-ZINC05763160