MMsINC Database Search


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MMsINC code: MMs02991085

Type: Neutral
Formula: C₁₈H₁₄O₆

SMILES:

O(C(=O)C)c1ccc(cc1)C(=O)C(=O)c1ccc(OC(=O)C)cc1

InChI:

InChI=1/C18H14O6/c1-11(19)23-15-7-3-13(4-8-15)17(21)18(22)14-5-9-16(10-6-14)24-12(2)20/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.44 kcal/mol

Physical Properties
Molecular Weight: 326.304 g/mol	logS: -4.49608	SlogP: 2.6028	Reactive groups: 1

Topological Properties
Globularity: 0.0698662	Sterimol/B1: 2.54877	Sterimol/B2: 3.11384	Sterimol/B3: 4.77117
Sterimol/B4: 7.09483	Sterimol/L: 18.7467

Surface and Volume Properties
Accessible surface: 584.208	Positive charged surface: 302.9	Negative charged surface: 281.307	Volume: 295.25
Hydrophobic surface: 437.037	Hydrophilic surface: 147.171

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.