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PUBCHEM-ZINC01905359

 MMsINC code: MMs02829149
Type: Neutral
Formula: C18H23N
SMILES:   N(Cc1ccccc1)(Cc1ccccc1)CCCC
InChI:   InChI=1/C18H23N/c1-2-3-14-19(15-17-10-6-4-7-11-17)16-18-12-8-5-9-13-18/h4-13H,2-3,14-16H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.4307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.389 g/mol  logS: -4.06843  SlogP: 5.0217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186743  Sterimol/B1: 2.34273  Sterimol/B2: 3.04835  Sterimol/B3: 4.47096
  Sterimol/B4: 9.644  Sterimol/L: 13.3995 
 
 Surface and Volume Properties
  Accessible surface: 530.604  Positive charged surface: 342.559  Negative charged surface: 188.045  Volume: 285.625
  Hydrophobic surface: 498.274  Hydrophilic surface: 32.33
 
 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


MMs02829150
PUBCHEM-ZINC01905359