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NCID-ZINC04759163

 MMsINC code: MMs02401210
Type: Neutral
Formula: C24H32O2
SMILES:   Oc1ccc(cc1C)C1CC(CCC1C)C(Cc1cc(C)c(O)cc1)C
InChI:   InChI=1/C24H32O2/c1-15-5-7-20(14-22(15)21-8-10-24(26)18(4)13-21)16(2)11-19-6-9-23(25)17(3)12-19/h6,8-10,12-13,15-16,20,22,25-26H,5,7,11,14H2,1-4H3/t15-,16+,20-,22+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.518 g/mol  logS: -7.49294  SlogP: 6.11321  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133352  Sterimol/B1: 2.16765  Sterimol/B2: 4.27859  Sterimol/B3: 5.70207
  Sterimol/B4: 6.77224  Sterimol/L: 17.6321 
 
 Surface and Volume Properties
  Accessible surface: 632.706  Positive charged surface: 417.572  Negative charged surface: 215.134  Volume: 377.875
  Hydrophobic surface: 512.013  Hydrophilic surface: 120.693
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.