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NCID-ZINC04946245

 MMsINC code: MMs02417915
Type: Neutral
Formula: C19H27FO2
SMILES:   FC1CC2C3CCC(O)C3(CCC2C2C(C1)=CC(=O)CC2)C
InChI:   InChI=1/C19H27FO2/c1-19-7-6-15-14-3-2-13(21)9-11(14)8-12(20)10-16(15)17(19)4-5-18(19)22/h9,12,14-18,22H,2-8,10H2,1H3/t12-,14+,15+,16-,17-,18-,19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.351 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.421 g/mol  logS: -3.33219  SlogP: 4.2471  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.179111  Sterimol/B1: 3.04393  Sterimol/B2: 4.17661  Sterimol/B3: 5.103
  Sterimol/B4: 5.21394  Sterimol/L: 14.1305 
 
 Surface and Volume Properties
  Accessible surface: 499.016  Positive charged surface: 341.27  Negative charged surface: 157.747  Volume: 301.125
  Hydrophobic surface: 357.206  Hydrophilic surface: 141.81
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 7
 
 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.