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PUBCHEM-ZINC00227459

 MMsINC code: MMs02642533
Type: Neutral
Formula: C19H30N2
SMILES:   N(C)(C1CCCCC1)C1CCN(CC1)Cc1ccccc1
InChI:   InChI=1/C19H30N2/c1-20(18-10-6-3-7-11-18)19-12-14-21(15-13-19)16-17-8-4-2-5-9-17/h2,4-5,8-9,18-19H,3,6-7,10-16H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.7777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.463 g/mol  logS: -3.17774  SlogP: 4.1819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118565  Sterimol/B1: 2.06199  Sterimol/B2: 3.35368  Sterimol/B3: 5.86421
  Sterimol/B4: 6.03337  Sterimol/L: 15.6922 
 
 Surface and Volume Properties
  Accessible surface: 558.069  Positive charged surface: 430.943  Negative charged surface: 127.125  Volume: 318
  Hydrophobic surface: 550.611  Hydrophilic surface: 7.458
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs02642534
PUBCHEM-ZINC00227459