MMsINC Database Search


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MMsINC code: MMs01738016

Type: Neutral
Formula: C₁₉H₁₈O₅

SMILES:

O1C=C(C(=O)c2c1cc(OCC)cc2)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C19H18O5/c1-4-23-13-6-7-14-17(10-13)24-11-15(19(14)20)12-5-8-16(21-2)18(9-12)22-3/h5-11H,4H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.775 kcal/mol

Physical Properties
Molecular Weight: 326.348 g/mol	logS: -4.73763	SlogP: 3.7187	Reactive groups: 1

Topological Properties
Globularity: 0.025236	Sterimol/B1: 3.12532	Sterimol/B2: 3.14932	Sterimol/B3: 4.31128
Sterimol/B4: 5.18081	Sterimol/L: 19.5099

Surface and Volume Properties
Accessible surface: 590.368	Positive charged surface: 404.816	Negative charged surface: 185.552	Volume: 308.75
Hydrophobic surface: 510.523	Hydrophilic surface: 79.845

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.