MMsINC Database Search


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MMsINC code: MMs00290916

Type: Neutral
Formula: C₂₆H₁₆O₄

SMILES:

O(c1c2c(ccc1)C(=O)c1c(cccc1Oc1ccccc1)C2=O)c1ccccc1

InChI:

InChI=1/C26H16O4/c27-25-20-14-8-16-22(30-18-11-5-2-6-12-18)24(20)26(28)19-13-7-15-21(23(19)25)29-17-9-3-1-4-10-17/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.754 kcal/mol

Physical Properties
Molecular Weight: 392.41 g/mol	logS: -7.45042	SlogP: 6.0466	Reactive groups: 0

Topological Properties
Globularity: 0.0832063	Sterimol/B1: 3.79729	Sterimol/B2: 4.30655	Sterimol/B3: 4.31221
Sterimol/B4: 6.61262	Sterimol/L: 17.5958

Surface and Volume Properties
Accessible surface: 638.404	Positive charged surface: 349.821	Negative charged surface: 288.584	Volume: 369.5
Hydrophobic surface: 585.757	Hydrophilic surface: 52.647

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.