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PUBCHEM-ZINC02008424

 MMsINC code: MMs02847694
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+/m1/s1

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Potential Energy
Epot(MMFF94)=83.5833 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: 0.0237193  Sterimol/B1: 2.92207  Sterimol/B2: 3.04383  Sterimol/B3: 4.19881
  Sterimol/B4: 5.92003  Sterimol/L: 14.1625 
 
 Surface and Volume Properties
  Accessible surface: 470.079  Positive charged surface: 243.774  Negative charged surface: 193.342  Volume: 267.75
  Hydrophobic surface: 446.335  Hydrophilic surface: 23.744
 
 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.