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ENAMINE-ZINC05783176

 MMsINC code: MMs01638101
Type: Neutral
Formula: C19H14O2
SMILES:   O1C=2C(C=C3C1C=CC=C3)c1c(cccc1)C=2\C=C\C=O
InChI:   InChI=1/C19H14O2/c20-11-5-9-16-14-7-2-3-8-15(14)17-12-13-6-1-4-10-18(13)21-19(16)17/h1-12,17-18H/b9-5+/t17-,18-/m0/s1

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Potential Energy
Epot(MMFF94)=90.823 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.319 g/mol  logS: -4.38179  SlogP: 3.7012  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.103692  Sterimol/B1: 2.91498  Sterimol/B2: 3.16766  Sterimol/B3: 4.07658
  Sterimol/B4: 8.68651  Sterimol/L: 12.6143 
 
 Surface and Volume Properties
  Accessible surface: 493.119  Positive charged surface: 265.964  Negative charged surface: 227.156  Volume: 269.25
  Hydrophobic surface: 396.29  Hydrophilic surface: 96.829
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.