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NCID-ZINC01666669

 MMsINC code: MMs02302823
Type: Neutral
Formula: C17H29NO
SMILES:   Oc1ccc(cc1CN(C)C)C(CC(C)(C)C)(C)C
InChI:   InChI=1/C17H29NO/c1-16(2,3)12-17(4,5)14-8-9-15(19)13(10-14)11-18(6)7/h8-10,19H,11-12H2,1-7H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=181.792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.425 g/mol  logS: -4.97484  SlogP: 4.434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0952894  Sterimol/B1: 2.018  Sterimol/B2: 4.09185  Sterimol/B3: 4.72175
  Sterimol/B4: 4.82643  Sterimol/L: 15.2644 
 
 Surface and Volume Properties
  Accessible surface: 512.66  Positive charged surface: 387.772  Negative charged surface: 124.888  Volume: 295.25
  Hydrophobic surface: 391.997  Hydrophilic surface: 120.663
 
 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


MMs02302824
NCID-ZINC01666669