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NCID-ZINC01734056

 MMsINC code: MMs02356477
Type: Neutral
Formula: C19H33NO
SMILES:   O(CCN(C)C)c1c(cc(cc1C(C)(C)C)C)C(C)(C)C
InChI:   InChI=1/C19H33NO/c1-14-12-15(18(2,3)4)17(21-11-10-20(8)9)16(13-14)19(5,6)7/h12-13H,10-11H2,1-9H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=166.468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.479 g/mol  logS: -5.21933  SlogP: 4.53042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159141  Sterimol/B1: 3.14468  Sterimol/B2: 4.22817  Sterimol/B3: 5.09187
  Sterimol/B4: 6.83785  Sterimol/L: 13.7461 
 
 Surface and Volume Properties
  Accessible surface: 549.756  Positive charged surface: 424.42  Negative charged surface: 125.336  Volume: 335.125
  Hydrophobic surface: 468.855  Hydrophilic surface: 80.901
 
 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


MMs02356478
NCID-ZINC01734056