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ENAMINE-ZINC05860194

 MMsINC code: MMs01642873
Type: Neutral
Formula: C20H21NO2
SMILES:   o1nc(C)c(COc2ccc(cc2C)-c2ccc(cc2)C)c1C
InChI:   InChI=1/C20H21NO2/c1-13-5-7-17(8-6-13)18-9-10-20(14(2)11-18)22-12-19-15(3)21-23-16(19)4/h5-11H,12H2,1-4H3

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Potential Energy
Epot(MMFF94)=93.1036 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.393 g/mol  logS: -5.53706  SlogP: 5.42068  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0807576  Sterimol/B1: 3.46515  Sterimol/B2: 4.59633  Sterimol/B3: 4.62085
  Sterimol/B4: 5.44433  Sterimol/L: 18.0259 
 
 Surface and Volume Properties
  Accessible surface: 596.99  Positive charged surface: 321.318  Negative charged surface: 265.051  Volume: 318.25
  Hydrophobic surface: 566.614  Hydrophilic surface: 30.376
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.