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FDA-ZINC01999382

 MMsINC code: MMs01725715
Type: Neutral
Formula: C19H31NO
SMILES:   O(CCCN(C)C)C1(CCCCCC1)Cc1ccccc1
InChI:   InChI=1/C19H31NO/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.115 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.463 g/mol  logS: -3.64857  SlogP: 4.29037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165401  Sterimol/B1: 3.4279  Sterimol/B2: 4.53076  Sterimol/B3: 5.50088
  Sterimol/B4: 6.94467  Sterimol/L: 13.7103 
 
 Surface and Volume Properties
  Accessible surface: 550.764  Positive charged surface: 431.931  Negative charged surface: 118.833  Volume: 323.25
  Hydrophobic surface: 547.631  Hydrophilic surface: 3.133
 
 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


MMs01725716
FDA-ZINC01999382