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NCID-ZINC04974433

 MMsINC code: MMs02422446
Type: Neutral
Formula: C18H23FO2
SMILES:   Fc1cc2C3C(C4CCC(O)C4(CC3)C)CCc2cc1O
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/h8-9,11-12,14,17,20-21H,2-7H2,1H3/t11-,12+,14+,17+,18+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.48 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.378 g/mol  logS: -4.51337  SlogP: 3.74827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0925789  Sterimol/B1: 2.02837  Sterimol/B2: 3.83227  Sterimol/B3: 4.58787
  Sterimol/B4: 4.8892  Sterimol/L: 14.6405 
 
 Surface and Volume Properties
  Accessible surface: 485.635  Positive charged surface: 336.877  Negative charged surface: 148.758  Volume: 279.25
  Hydrophobic surface: 377.721  Hydrophilic surface: 107.914
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.