MMsINC Database Search


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MMsINC code: MMs00286664

Type: Neutral
Formula: C₂₆H₁₄O₅

SMILES:

O(c1c2c3c(cc1)C(=O)C(=O)c3ccc2)c1ccc(cc1)C(=O)C(=O)c1ccccc1

InChI:

InChI=1/C26H14O5/c27-23(15-5-2-1-3-6-15)24(28)16-9-11-17(12-10-16)31-21-14-13-20-22-18(21)7-4-8-19(22)25(29)26(20)30/h1-14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=176.387 kcal/mol

Physical Properties
Molecular Weight: 406.393 g/mol	logS: -8.20829	SlogP: 5.0767	Reactive groups: 1

Topological Properties
Globularity: 0.0557502	Sterimol/B1: 2.7757	Sterimol/B2: 4.00728	Sterimol/B3: 5.75633
Sterimol/B4: 6.13522	Sterimol/L: 19.8439

Surface and Volume Properties
Accessible surface: 656.297	Positive charged surface: 307.154	Negative charged surface: 338.042	Volume: 369.5
Hydrophobic surface: 494.91	Hydrophilic surface: 161.387

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

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Ions/Tautomers related molecules: no related molecules available.