MMsINC Database Search


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MMsINC code: MMs02187852

Type: Neutral
Formula: C₁₇H₁₄O₆

SMILES:

O1C=C(C(=O)c2c1cc(OC)c(O)c2OC)c1ccc(O)cc1

InChI:

InChI=1/C17H14O6/c1-21-13-7-12-14(17(22-2)16(13)20)15(19)11(8-23-12)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.559 kcal/mol

Physical Properties
Molecular Weight: 314.293 g/mol	logS: -3.63614	SlogP: 2.7312	Reactive groups: 1

Topological Properties
Globularity: 0.0272103	Sterimol/B1: 2.20356	Sterimol/B2: 2.48385	Sterimol/B3: 3.09364
Sterimol/B4: 7.80234	Sterimol/L: 16.6684

Surface and Volume Properties
Accessible surface: 530.202	Positive charged surface: 355.726	Negative charged surface: 174.475	Volume: 279.625
Hydrophobic surface: 401.799	Hydrophilic surface: 128.403

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.