MMsINC Database Search


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MMsINC code: MMs02505399

Type: Neutral
Formula: C₂₆H₁₆O₄

SMILES:

O=C1c2c(cccc2)C(=O)C1=C1c2c(cccc2)C(=O)C1CC(=O)c1ccccc1

InChI:

InChI=1/C26H16O4/c27-21(15-8-2-1-3-9-15)14-20-22(16-10-4-5-11-17(16)24(20)28)23-25(29)18-12-6-7-13-19(18)26(23)30/h1-13,20H,14H2/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.94 kcal/mol

Physical Properties
Molecular Weight: 392.41 g/mol	logS: -6.62784	SlogP: 4.6049	Reactive groups: 1

Topological Properties
Globularity: 0.091335	Sterimol/B1: 2.93389	Sterimol/B2: 4.73962	Sterimol/B3: 4.77965
Sterimol/B4: 9.64357	Sterimol/L: 15.7488

Surface and Volume Properties
Accessible surface: 634.845	Positive charged surface: 327.75	Negative charged surface: 307.095	Volume: 367.75
Hydrophobic surface: 527.065	Hydrophilic surface: 107.78

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.