MMsINC Database Search


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MMsINC code: MMs02340079

Type: Neutral
Formula: C₁₈H₁₄O₄

SMILES:

O(c1cc(O)c(Oc2ccccc2)cc1O)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.6918 kcal/mol

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

Topological Properties
Globularity: 0.0736912	Sterimol/B1: 3.51336	Sterimol/B2: 4.20005	Sterimol/B3: 4.27442
Sterimol/B4: 4.84119	Sterimol/L: 16.6702

Surface and Volume Properties
Accessible surface: 539.004	Positive charged surface: 313.729	Negative charged surface: 225.275	Volume: 277.125
Hydrophobic surface: 439.76	Hydrophilic surface: 99.244

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.