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NCID-ZINC01591629

 MMsINC code: MMs02246279
Type: Neutral
Formula: C18H12O
SMILES:   O1C2c3c(C1c1c2cccc1)ccc1c3cccc1
InChI:   InChI=1/C18H12O/c1-2-6-12-11(5-1)9-10-15-16(12)18-14-8-4-3-7-13(14)17(15)19-18/h1-10,17-18H/t17-,18+/m0/s1

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Potential Energy
Epot(MMFF94)=110.489 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.293 g/mol  logS: -5.39166  SlogP: 4.5532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136562  Sterimol/B1: 2.75438  Sterimol/B2: 3.45004  Sterimol/B3: 4.80671
  Sterimol/B4: 5.71341  Sterimol/L: 12.8655 
 
 Surface and Volume Properties
  Accessible surface: 449.899  Positive charged surface: 236.961  Negative charged surface: 202.436  Volume: 240.75
  Hydrophobic surface: 416.523  Hydrophilic surface: 33.376
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.