MMsINC Database Search


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MMsINC code: MMs02573515

Type: Neutral
Formula: C₂₄H₁₆O₄

SMILES:

O1c2c(cccc2)C(=O)C(OC(=O)\C=C\c2ccccc2)=C1c1ccccc1

InChI:

InChI=1/C24H16O4/c25-21(16-15-17-9-3-1-4-10-17)28-24-22(26)19-13-7-8-14-20(19)27-23(24)18-11-5-2-6-12-18/h1-16H/b16-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.8 kcal/mol

Physical Properties
Molecular Weight: 368.388 g/mol	logS: -7.2044	SlogP: 4.8871	Reactive groups: 1

Topological Properties
Globularity: 0.0681979	Sterimol/B1: 3.45429	Sterimol/B2: 3.99668	Sterimol/B3: 4.10052
Sterimol/B4: 7.77652	Sterimol/L: 18.575

Surface and Volume Properties
Accessible surface: 642.713	Positive charged surface: 331.943	Negative charged surface: 310.77	Volume: 351
Hydrophobic surface: 583.273	Hydrophilic surface: 59.44

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.