MMsINC Database Search


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MMsINC code: MMs02288058

Type: Neutral
Formula: C₂₄H₁₈O₄

SMILES:

O=C1C(C)=C(c2c(cc(cc2)C)C1=O)C=1c2c(cc(cc2)C)C(=O)C(=O)C=1C

InChI:

InChI=1/C24H18O4/c1-11-5-7-15-17(9-11)23(27)21(25)13(3)19(15)20-14(4)22(26)24(28)18-10-12(2)6-8-16(18)20/h5-10H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.674 kcal/mol

Physical Properties
Molecular Weight: 370.404 g/mol	logS: -6.7091	SlogP: 4.08144	Reactive groups: 1

Topological Properties
Globularity: 0.23305	Sterimol/B1: 2.39625	Sterimol/B2: 3.37392	Sterimol/B3: 5.44629
Sterimol/B4: 8.60324	Sterimol/L: 13.1686

Surface and Volume Properties
Accessible surface: 582.513	Positive charged surface: 306.429	Negative charged surface: 276.084	Volume: 350.375
Hydrophobic surface: 418.66	Hydrophilic surface: 163.853

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.