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PUBCHEM-ZINC06519490

 MMsINC code: MMs03778206
Type: Neutral
Formula: C19H25FO3
SMILES:   FC1CC2C3C(c4c(cc(O)cc4)CC3)C(OC)CC2(C)C1O
InChI:   InChI=1/C19H25FO3/c1-19-9-16(23-2)17-12-6-4-11(21)7-10(12)3-5-13(17)14(19)8-15(20)18(19)22/h4,6-7,13-18,21-22H,3,5,8-9H2,1-2H3/t13-,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)=148.79 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.404 g/mol  logS: -3.34083  SlogP: 3.60197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.291424  Sterimol/B1: 4.0216  Sterimol/B2: 4.489  Sterimol/B3: 5.04811
  Sterimol/B4: 5.45004  Sterimol/L: 12.6804 
 
 Surface and Volume Properties
  Accessible surface: 509.086  Positive charged surface: 367.582  Negative charged surface: 141.504  Volume: 303.375
  Hydrophobic surface: 371.452  Hydrophilic surface: 137.634
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.