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CHEMSTAR-ZINC04525826

 MMsINC code: MMs01115202
Type: Neutral
Formula: C19H22N2O2
SMILES:   O(\N=C(\N)/Cc1c2c(ccc1)cccc2)C(=O)C1CCCCC1
InChI:   InChI=1/C19H22N2O2/c20-18(21-23-19(22)15-8-2-1-3-9-15)13-16-11-6-10-14-7-4-5-12-17(14)16/h4-7,10-12,15H,1-3,8-9,13H2,(H2,20,21)

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Potential Energy
Epot(MMFF94)=97.4375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.397 g/mol  logS: -5.9542  SlogP: 3.77797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173773  Sterimol/B1: 2.62509  Sterimol/B2: 3.04163  Sterimol/B3: 6.95434
  Sterimol/B4: 7.86359  Sterimol/L: 13.9897 
 
 Surface and Volume Properties
  Accessible surface: 571.842  Positive charged surface: 390.307  Negative charged surface: 175.718  Volume: 312.5
  Hydrophobic surface: 485.262  Hydrophilic surface: 86.58
 
 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: no related molecules available.