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PUBCHEM-ZINC03604681

 MMsINC code: MMs03020068
Type: Neutral
Formula: C18H23N
SMILES:   N(CCC(C)(c1ccccc1)c1ccccc1)(C)C
InChI:   InChI=1/C18H23N/c1-18(14-15-19(2)3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.3169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.389 g/mol  logS: -3.67725  SlogP: 3.9443  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.20863  Sterimol/B1: 1.98855  Sterimol/B2: 4.77225  Sterimol/B3: 6.21863
  Sterimol/B4: 6.64318  Sterimol/L: 13.2239 
 
 Surface and Volume Properties
  Accessible surface: 511.91  Positive charged surface: 356.535  Negative charged surface: 155.376  Volume: 286.875
  Hydrophobic surface: 493.959  Hydrophilic surface: 17.951
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03020069
PUBCHEM-ZINC03604681