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PUBCHEM-ZINC06494128

 MMsINC code: MMs03767009
Type: Ionized
Formula: C24H29O2-
SMILES:   O=C([O-])c1ccc(cc1)CC(C)c1cc2c(cc1)C(CCC2(C)C)(C)C
InChI:   InChI=1/C24H30O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,15-16H,12-14H2,1-5H3,(H,25,26)/p-1/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.0022 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.494 g/mol  logS: -8.55837  SlogP: 4.74527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0754045  Sterimol/B1: 2.34556  Sterimol/B2: 3.25528  Sterimol/B3: 5.88129
  Sterimol/B4: 6.1519  Sterimol/L: 18.1344 
 
 Surface and Volume Properties
  Accessible surface: 636.352  Positive charged surface: 393.563  Negative charged surface: 242.789  Volume: 377.5
  Hydrophobic surface: 469.896  Hydrophilic surface: 166.456
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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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Parent related molecule:


MMs03767008
PUBCHEM-ZINC06494128