MMsINC Database Search


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MMsINC code: MMs03129479

Type: Neutral
Formula: C₁₈H₁₄O₄

SMILES:

Oc1cccc(O)c1-c1cc(ccc1)-c1c(O)cccc1O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.5656 kcal/mol

Physical Properties
Molecular Weight: 294.306 g/mol	logS: -4.78984	SlogP: 3.843	Reactive groups: 0

Topological Properties
Globularity: 0.149498	Sterimol/B1: 2.54722	Sterimol/B2: 4.0465	Sterimol/B3: 4.05746
Sterimol/B4: 6.42546	Sterimol/L: 14.6249

Surface and Volume Properties
Accessible surface: 519.575	Positive charged surface: 296.403	Negative charged surface: 219.423	Volume: 275.125
Hydrophobic surface: 363.936	Hydrophilic surface: 155.639

Pharmacophoric Properties
Hydrogen bond donors: 4	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.