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MMsINC code: MMs00478373

Type: Neutral
Formula: C₂₆H₁₈O₄

SMILES:

Oc1c2c3c(cccc3c(O)c1-c1ccccc1)C(=O)C(Cc1ccccc1)C2=O

InChI:

InChI=1/C26H18O4/c27-23-17-12-7-13-18-21(17)22(25(29)19(23)14-15-8-3-1-4-9-15)26(30)20(24(18)28)16-10-5-2-6-11-16/h1-13,19,28,30H,14H2/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.507 kcal/mol

Physical Properties
Molecular Weight: 394.426 g/mol	logS: -7.30975	SlogP: 5.15587	Reactive groups: 0

Topological Properties
Globularity: 0.0491567	Sterimol/B1: 2.99828	Sterimol/B2: 3.98504	Sterimol/B3: 4.25546
Sterimol/B4: 6.61769	Sterimol/L: 18.5883

Surface and Volume Properties
Accessible surface: 626.355	Positive charged surface: 342.836	Negative charged surface: 273.51	Volume: 370.5
Hydrophobic surface: 502.973	Hydrophilic surface: 123.382

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs00478374
AURORAFEINCHEMIE-ZINC06666055