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NCID-ZINC05811258

 MMsINC code: MMs02500697
Type: Neutral
Formula: C24H24O10
SMILES:   O1c2cc(ccc2OC1)C1c2c(cc(OC)c(OC)c2OC)C(=O)C(C(OC)=O)C1C(OC)=
O
InChI:   InChI=1/C24H24O10/c1-28-15-9-12-17(22(30-3)21(15)29-2)16(11-6-7-13-14(8-11)34-10-33-13)18(23(26)31-4)19(20(12)25)24(27)32-5/h6-9,16,18-19H,10H2,1-5H3/t16-,18-,19+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=152.761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 472.446 g/mol  logS: -3.95166  SlogP: 2.3477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.485392  Sterimol/B1: 3.50969  Sterimol/B2: 4.10031  Sterimol/B3: 7.07192
  Sterimol/B4: 9.40166  Sterimol/L: 14.2224 
 
 Surface and Volume Properties
  Accessible surface: 678.317  Positive charged surface: 536.676  Negative charged surface: 141.641  Volume: 411.125
  Hydrophobic surface: 530.22  Hydrophilic surface: 148.097
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.