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NCID-ZINC06003571

 MMsINC code: MMs02514999
Type: Neutral
Formula: C25H24O4
SMILES:   O(C(=O)\C=C/c1cc2CC3(Cc4cc(ccc4C3)\C=C\C(OC)=O)Cc2cc1)C
InChI:   InChI=1/C25H24O4/c1-28-23(26)9-5-17-3-7-19-13-25(15-21(19)11-17)14-20-8-4-18(12-22(20)16-25)6-10-24(27)29-2/h3-12H,13-16H2,1-2H3/b9-5-,10-6+/t25-/m0/s1

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Potential Energy
Epot(MMFF94)=125.404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.463 g/mol  logS: -6.91026  SlogP: 3.94268  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0765763  Sterimol/B1: 2.52574  Sterimol/B2: 3.43924  Sterimol/B3: 5.67221
  Sterimol/B4: 8.73456  Sterimol/L: 20.4099 
 
 Surface and Volume Properties
  Accessible surface: 690.838  Positive charged surface: 467.572  Negative charged surface: 223.266  Volume: 386.75
  Hydrophobic surface: 617.191  Hydrophilic surface: 73.647
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.