MMsINC Database Search


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MMsINC code: MMs01228039

Type: Neutral
Formula: C₁₈H₁₄O₄

SMILES:

O(c1ccccc1O)c1ccc(Oc2ccccc2O)cc1

InChI:

InChI=1/C18H14O4/c19-15-5-1-3-7-17(15)21-13-9-11-14(12-10-13)22-18-8-4-2-6-16(18)20/h1-12,19-20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.8371 kcal/mol

Physical Properties
Molecular Weight: 294.306 g/mol	logS: -4.2264	SlogP: 4.6824	Reactive groups: 0

Topological Properties
Globularity: 0.0403189	Sterimol/B1: 3.14724	Sterimol/B2: 3.6192	Sterimol/B3: 3.6258
Sterimol/B4: 5.36567	Sterimol/L: 16.8324

Surface and Volume Properties
Accessible surface: 538.677	Positive charged surface: 314.702	Negative charged surface: 223.975	Volume: 276.625
Hydrophobic surface: 439.466	Hydrophilic surface: 99.211

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