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NANOSIN-ZINC02025688

 MMsINC code: MMs02201608
Type: Neutral
Formula: C22H23NO2
SMILES:   O1C(=N\C(=C\c2ccccc2)\C1=O)c1ccc(cc1)CCCCCC
InChI:   InChI=1/C22H23NO2/c1-2-3-4-6-9-17-12-14-19(15-13-17)21-23-20(22(24)25-21)16-18-10-7-5-8-11-18/h5,7-8,10-16H,2-4,6,9H2,1H3/b20-16-

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Potential Energy
Epot(MMFF94)=83.5566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.431 g/mol  logS: -8.10703  SlogP: 5.15387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0308236  Sterimol/B1: 2.18821  Sterimol/B2: 4.28605  Sterimol/B3: 5.06927
  Sterimol/B4: 6.93794  Sterimol/L: 20.7496 
 
 Surface and Volume Properties
  Accessible surface: 645.463  Positive charged surface: 393.508  Negative charged surface: 251.954  Volume: 349.625
  Hydrophobic surface: 544.873  Hydrophilic surface: 100.59
 
 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.