MMsINC Database Search


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MMsINC code: MMs00990155

Type: Neutral
Formula: C₂₄H₁₈O₄

SMILES:

O(C(=O)C)c1ccc2c(c1-c1c3c(ccc1)cccc3)c(OC(=O)C)ccc2

InChI:

InChI=1/C24H18O4/c1-15(25)27-21-12-6-9-18-13-14-22(28-16(2)26)24(23(18)21)20-11-5-8-17-7-3-4-10-19(17)20/h3-14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.917 kcal/mol

Physical Properties
Molecular Weight: 370.404 g/mol	logS: -8.27406	SlogP: 5.5106	Reactive groups: 0

Topological Properties
Globularity: 0.397874	Sterimol/B1: 2.3344	Sterimol/B2: 2.70068	Sterimol/B3: 7.30102
Sterimol/B4: 10.4598	Sterimol/L: 12.7608

Surface and Volume Properties
Accessible surface: 576.22	Positive charged surface: 321.456	Negative charged surface: 245.638	Volume: 351.75
Hydrophobic surface: 518.474	Hydrophilic surface: 57.746

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.