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NCID-ZINC04974947

 MMsINC code: MMs02423007
Type: Neutral
Formula: C18H23FO2
SMILES:   FC1CC=2C3C(C4CCC(=O)C4(CC3)C)CCC=2CC1=O
InChI:   InChI=1/C18H23FO2/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h11-12,14-15H,2-9H2,1H3/t11-,12-,14-,15-,18+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.5018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.378 g/mol  logS: -3.46669  SlogP: 4.2093  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125019  Sterimol/B1: 2.73643  Sterimol/B2: 3.21912  Sterimol/B3: 4.46294
  Sterimol/B4: 5.50579  Sterimol/L: 13.3757 
 
 Surface and Volume Properties
  Accessible surface: 469.637  Positive charged surface: 315.963  Negative charged surface: 153.674  Volume: 277.75
  Hydrophobic surface: 337.554  Hydrophilic surface: 132.083
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.