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PUBCHEM-ZINC04472855

 MMsINC code: MMs03124032
Type: Neutral
Formula: C19H27NO
SMILES:   O(CCCCCNC(C)(C)C)c1c2c(ccc1)cccc2
InChI:   InChI=1/C19H27NO/c1-19(2,3)20-14-7-4-8-15-21-18-13-9-11-16-10-5-6-12-17(16)18/h5-6,9-13,20H,4,7-8,14-15H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.6664 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.431 g/mol  logS: -4.66702  SlogP: 4.777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0223384  Sterimol/B1: 2.38691  Sterimol/B2: 4.27158  Sterimol/B3: 4.86148
  Sterimol/B4: 5.63959  Sterimol/L: 19.5184 
 
 Surface and Volume Properties
  Accessible surface: 607.987  Positive charged surface: 401.543  Negative charged surface: 195.372  Volume: 317.75
  Hydrophobic surface: 536.094  Hydrophilic surface: 71.893
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03124033
PUBCHEM-ZINC04472855