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PUBCHEM-ZINC05161335

 MMsINC code: MMs03216782
Type: Neutral
Formula: C15H18N2
SMILES:   N(CCNc1ccccc1)c1ccccc1C
InChI:   InChI=1/C15H18N2/c1-13-7-5-6-10-15(13)17-12-11-16-14-8-3-2-4-9-14/h2-10,16-17H,11-12H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.2111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.323 g/mol  logS: -2.93261  SlogP: 3.51902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0085006  Sterimol/B1: 2.01087  Sterimol/B2: 2.3785  Sterimol/B3: 2.51223
  Sterimol/B4: 6.74206  Sterimol/L: 16.4326 
 
 Surface and Volume Properties
  Accessible surface: 495.348  Positive charged surface: 306.121  Negative charged surface: 189.227  Volume: 246.25
  Hydrophobic surface: 468.125  Hydrophilic surface: 27.223
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.