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NCID-ZINC01683263

 MMsINC code: MMs02316849
Type: Neutral
Formula: C18H29NO
SMILES:   Oc1c(cc(cc1CN(C)C)C(C)(C)C)C1CCCC1
InChI:   InChI=1/C18H29NO/c1-18(2,3)15-10-14(12-19(4)5)17(20)16(11-15)13-8-6-7-9-13/h10-11,13,20H,6-9,12H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.5239 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.436 g/mol  logS: -5.03327  SlogP: 4.6753  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151396  Sterimol/B1: 2.56647  Sterimol/B2: 3.35983  Sterimol/B3: 3.93366
  Sterimol/B4: 8.39324  Sterimol/L: 13.6656 
 
 Surface and Volume Properties
  Accessible surface: 550.205  Positive charged surface: 439  Negative charged surface: 111.205  Volume: 308.875
  Hydrophobic surface: 456.188  Hydrophilic surface: 94.017
 
 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


MMs02316850
NCID-ZINC01683263