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NCID-ZINC05808120

 MMsINC code: MMs02498165
Type: Neutral
Formula: C30H24O4
SMILES:   O(C)c1c2c(cccc2)c(cc1)C(c1ccccc1C(O)=O)c1c2c(cccc2)c(OC)cc1
InChI:   InChI=1/C30H24O4/c1-33-27-17-15-24(19-9-3-5-11-21(19)27)29(23-13-7-8-14-26(23)30(31)32)25-16-18-28(34-2)22-12-6-4-10-20(22)25/h3-18,29H,1-2H3,(H,31,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=188.59 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 448.518 g/mol  logS: -8.96964  SlogP: 6.8886  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.465959  Sterimol/B1: 3.69447  Sterimol/B2: 4.1994  Sterimol/B3: 7.58425
  Sterimol/B4: 8.87505  Sterimol/L: 14.904 
 
 Surface and Volume Properties
  Accessible surface: 704.626  Positive charged surface: 451.053  Negative charged surface: 237.846  Volume: 431.75
  Hydrophobic surface: 629.61  Hydrophilic surface: 75.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs02498166
NCID-ZINC05808120