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PUBCHEM-ZINC02008425

 MMsINC code: MMs02847695
Type: Neutral
Formula: C20H14O
SMILES:   O1C2C1c1c(CC2)c2c3c4c(cc2)cccc4ccc3c1
InChI:   InChI=1/C20H14O/c1-2-11-4-5-13-10-16-14(8-9-17-20(16)21-17)15-7-6-12(3-1)18(11)19(13)15/h1-7,10,17,20H,8-9H2/t17-,20+/m0/s1

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Potential Energy
Epot(MMFF94)=85.863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.331 g/mol  logS: -7.1207  SlogP: 5.06557  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0228058  Sterimol/B1: 3.0355  Sterimol/B2: 3.08455  Sterimol/B3: 4.19945
  Sterimol/B4: 5.91909  Sterimol/L: 14.1045 
 
 Surface and Volume Properties
  Accessible surface: 469.075  Positive charged surface: 244.382  Negative charged surface: 191.73  Volume: 267.125
  Hydrophobic surface: 448.323  Hydrophilic surface: 20.752
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.