MMsINC Database Search


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MMsINC code: MMs02371534

Type: Neutral
Formula: C₁₉H₁₈O₆

SMILES:

O1C=C(c2ccc(OC)c(OC)c2OC)C(=O)c2c1cc(OC)cc2

InChI:

InChI=1/C19H18O6/c1-21-11-5-6-13-16(9-11)25-10-14(17(13)20)12-7-8-15(22-2)19(24-4)18(12)23-3/h5-10H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.894 kcal/mol

Physical Properties
Molecular Weight: 342.347 g/mol	logS: -4.4608	SlogP: 3.3372	Reactive groups: 1

Topological Properties
Globularity: 0.0596389	Sterimol/B1: 3.5343	Sterimol/B2: 4.15036	Sterimol/B3: 4.225
Sterimol/B4: 4.91609	Sterimol/L: 18.5359

Surface and Volume Properties
Accessible surface: 577.571	Positive charged surface: 428.27	Negative charged surface: 149.301	Volume: 317.875
Hydrophobic surface: 517.956	Hydrophilic surface: 59.615

Pharmacophoric Properties
Hydrogen bond donors: 0	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.