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PUBCHEM-ZINC05561488

 MMsINC code: MMs03307454
Type: Neutral
Formula: C23H25N
SMILES:   N(C(c1ccccc1)(c1ccccc1)c1ccccc1)(CC)CC
InChI:   InChI=1/C23H25N/c1-3-24(4-2)23(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19H,3-4H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=227.992 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.46 g/mol  logS: -5.44655  SlogP: 5.6318  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.821921  Sterimol/B1: 2.05844  Sterimol/B2: 5.33664  Sterimol/B3: 6.80131
  Sterimol/B4: 8.1236  Sterimol/L: 11.4829 
 
 Surface and Volume Properties
  Accessible surface: 548.148  Positive charged surface: 333.968  Negative charged surface: 214.18  Volume: 337.625
  Hydrophobic surface: 510.896  Hydrophilic surface: 37.252
 
 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


MMs03307455
PUBCHEM-ZINC05561488