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ASINEX-ZINC00265107

 MMsINC code: MMs00102762
Type: Neutral
Formula: C17H16N2O
SMILES:   Oc1cc(ccc1-c1n[nH]c(c1)-c1ccc(cc1)C)C
InChI:   InChI=1/C17H16N2O/c1-11-3-6-13(7-4-11)15-10-16(19-18-15)14-8-5-12(2)9-17(14)20/h3-10,20H,1-2H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=71.9475 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.328 g/mol  logS: -5.19717  SlogP: 4.06614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00534619  Sterimol/B1: 2.10845  Sterimol/B2: 2.55353  Sterimol/B3: 3.13013
  Sterimol/B4: 5.2452  Sterimol/L: 17.4072 
 
 Surface and Volume Properties
  Accessible surface: 520.559  Positive charged surface: 300.4  Negative charged surface: 220.159  Volume: 265.375
  Hydrophobic surface: 421.845  Hydrophilic surface: 98.714
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.