MMsINC Database Search


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MMsINC code: MMs01734304

Type: Neutral
Formula: C₁₈H₁₄O₆

SMILES:

O1c2c(C(=O)C=C1c1ccccc1)c(O)cc(OCC(OC)=O)c2

InChI:

InChI=1/C18H14O6/c1-22-17(21)10-23-12-7-13(19)18-14(20)9-15(24-16(18)8-12)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.4466 kcal/mol

Physical Properties
Molecular Weight: 326.304 g/mol	logS: -4.64509	SlogP: 2.5602	Reactive groups: 1

Topological Properties
Globularity: 0.00459366	Sterimol/B1: 2.39264	Sterimol/B2: 2.43808	Sterimol/B3: 3.63862
Sterimol/B4: 6.83441	Sterimol/L: 19.1547

Surface and Volume Properties
Accessible surface: 571.764	Positive charged surface: 350.013	Negative charged surface: 221.75	Volume: 292
Hydrophobic surface: 437.182	Hydrophilic surface: 134.582

Pharmacophoric Properties
Hydrogen bond donors: 1	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.