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NCID-ZINC01855347

 MMsINC code: MMs02371798
Type: Neutral
Formula: C24H26O4
SMILES:   OC(=O)c1cc2CC3(Cc4cc(CCCC(O)=O)c(cc4C3)CC)Cc2cc1
InChI:   InChI=1/C24H26O4/c1-2-15-8-20-13-24(14-21(20)9-16(15)4-3-5-22(25)26)11-18-7-6-17(23(27)28)10-19(18)12-24/h6-10H,2-5,11-14H2,1H3,(H,25,26)(H,27,28)/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.5185 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.468 g/mol  logS: -6.52171  SlogP: 4.23812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0800697  Sterimol/B1: 2.13979  Sterimol/B2: 3.52204  Sterimol/B3: 5.3015
  Sterimol/B4: 7.58422  Sterimol/L: 20.3517 
 
 Surface and Volume Properties
  Accessible surface: 666.056  Positive charged surface: 424.917  Negative charged surface: 241.139  Volume: 374.875
  Hydrophobic surface: 448.833  Hydrophilic surface: 217.223
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02371799
NCID-ZINC01855347