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NCID-ZINC04758743

 MMsINC code: MMs02400926
Type: Neutral
Formula: C19H27FO2
SMILES:   FC1C2CCC3C4CCC(=O)C4(CCC3C2(CCC1=O)C)C
InChI:   InChI=1/C19H27FO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h11-14,17H,3-10H2,1-2H3/t11-,12+,13-,14-,17+,18+,19+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.421 g/mol  logS: -4.25567  SlogP: 4.5352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165504  Sterimol/B1: 1.969  Sterimol/B2: 3.96343  Sterimol/B3: 4.81954
  Sterimol/B4: 5.52656  Sterimol/L: 13.516 
 
 Surface and Volume Properties
  Accessible surface: 483.156  Positive charged surface: 314.475  Negative charged surface: 168.681  Volume: 298.5
  Hydrophobic surface: 346.9  Hydrophilic surface: 136.256
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.