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CHEMDIV-ZINC06839392

 MMsINC code: MMs01045327
Type: Neutral
Formula: C18H18N2O2
SMILES:   o1nc(c2cc(ccc12)C)CC(=O)Nc1cc(ccc1)CC
InChI:   InChI=1/C18H18N2O2/c1-3-13-5-4-6-14(10-13)19-18(21)11-16-15-9-12(2)7-8-17(15)22-20-16/h4-10H,3,11H2,1-2H3,(H,19,21)

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Potential Energy
Epot(MMFF94)=69.8517 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.354 g/mol  logS: -5.52535  SlogP: 3.87976  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0732406  Sterimol/B1: 3.33763  Sterimol/B2: 3.88481  Sterimol/B3: 4.56967
  Sterimol/B4: 5.58593  Sterimol/L: 16.7414 
 
 Surface and Volume Properties
  Accessible surface: 561.746  Positive charged surface: 337.282  Negative charged surface: 221.291  Volume: 291.25
  Hydrophobic surface: 475.013  Hydrophilic surface: 86.733
 
 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.