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NCID-ZINC05062770

 MMsINC code: MMs02434557
Type: Neutral
Formula: C20H15FO2
SMILES:   Fc1c2c(c3C4c5c(C(c3c1)C(O)C4O)cccc5)cccc2
InChI:   InChI=1/C20H15FO2/c21-15-9-14-16(11-6-2-1-5-10(11)15)18-13-8-4-3-7-12(13)17(14)19(22)20(18)23/h1-9,17-20,22-23H/t17-,18+,19+,20-/m1/s1

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Potential Energy
Epot(MMFF94)=127.391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.336 g/mol  logS: -5.01098  SlogP: 3.2915  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.317299  Sterimol/B1: 3.75294  Sterimol/B2: 4.03289  Sterimol/B3: 4.65927
  Sterimol/B4: 5.97284  Sterimol/L: 13.1236 
 
 Surface and Volume Properties
  Accessible surface: 491.471  Positive charged surface: 276.199  Negative charged surface: 205.868  Volume: 280.875
  Hydrophobic surface: 420.292  Hydrophilic surface: 71.179
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.