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NCID-ZINC01585407

 MMsINC code: MMs02241788
Type: Neutral
Formula: C18H19NO
SMILES:   OC(CN(C)C)c1cc2c3c(ccc2cc1)cccc3
InChI:   InChI=1/C18H19NO/c1-19(2)12-18(20)15-10-9-14-8-7-13-5-3-4-6-16(13)17(14)11-15/h3-11,18,20H,12H2,1-2H3/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.7685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.356 g/mol  logS: -4.80955  SlogP: 3.6835  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0506297  Sterimol/B1: 2.2599  Sterimol/B2: 4.79656  Sterimol/B3: 4.90713
  Sterimol/B4: 5.56408  Sterimol/L: 15.135 
 
 Surface and Volume Properties
  Accessible surface: 510.517  Positive charged surface: 326.023  Negative charged surface: 161.943  Volume: 277.375
  Hydrophobic surface: 470.89  Hydrophilic surface: 39.627
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02241789
NCID-ZINC01585407