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NANOSIN-ZINC03108589

 MMsINC code: MMs02202698
Type: Neutral
Formula: C25H18O2
SMILES:   O1C(=O)C(C=C1\C=C\c1ccccc1)=C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H18O2/c26-25-23(18-22(27-25)17-16-19-10-4-1-5-11-19)24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H/b17-16+

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Potential Energy
Epot(MMFF94)=108.716 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.417 g/mol  logS: -7.37365  SlogP: 5.45989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0439095  Sterimol/B1: 3.54987  Sterimol/B2: 3.57664  Sterimol/B3: 5.3153
  Sterimol/B4: 6.40752  Sterimol/L: 17.972 
 
 Surface and Volume Properties
  Accessible surface: 644.047  Positive charged surface: 339.131  Negative charged surface: 304.916  Volume: 356.125
  Hydrophobic surface: 598.506  Hydrophilic surface: 45.541
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.