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PUBCHEM-ZINC02898128

 MMsINC code: MMs02956008
Type: Neutral
Formula: C15H25NO
SMILES:   O(CCCNC(C)(C)C)c1c(cccc1C)C
InChI:   InChI=1/C15H25NO/c1-12-8-6-9-13(2)14(12)17-11-7-10-16-15(3,4)5/h6,8-9,16H,7,10-11H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.166 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.371 g/mol  logS: -2.70654  SlogP: 3.46044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0589504  Sterimol/B1: 2.23538  Sterimol/B2: 2.59672  Sterimol/B3: 3.57321
  Sterimol/B4: 7.24659  Sterimol/L: 15.8727 
 
 Surface and Volume Properties
  Accessible surface: 523.25  Positive charged surface: 352.653  Negative charged surface: 170.598  Volume: 270.5
  Hydrophobic surface: 449.961  Hydrophilic surface: 73.289
 
 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


MMs02956009
PUBCHEM-ZINC02898128