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CHEMBLOCK-ZINC04625167

 MMsINC code: MMs00564919
Type: Neutral
Formula: C19H32O
SMILES:   O=C(C(CCC)C12CC3CC(C1)CC(C2)C3)CCCC
InChI:   InChI=1/C19H32O/c1-3-5-7-18(20)17(6-4-2)19-11-14-8-15(12-19)10-16(9-14)13-19/h14-17H,3-13H2,1-2H3/t14-,15+,16-,17-,19-/m0/s1

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Potential Energy
Epot(MMFF94)=54.324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.464 g/mol  logS: -6.93366  SlogP: 5.3784  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.146244  Sterimol/B1: 3.08017  Sterimol/B2: 3.67853  Sterimol/B3: 4.13567
  Sterimol/B4: 8.7198  Sterimol/L: 14.0247 
 
 Surface and Volume Properties
  Accessible surface: 536.112  Positive charged surface: 423.607  Negative charged surface: 112.505  Volume: 306
  Hydrophobic surface: 477.031  Hydrophilic surface: 59.081
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.