MMsINC Database Search


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MMsINC code: MMs03219231

Type: Neutral
Formula: C₂₄H₁₆O₄

SMILES:

O(C(=O)C)c1c2c(c3c4c5c2cccc5ccc4ccc3)ccc1OC(=O)C

InChI:

InChI=1/C24H16O4/c1-13(25)27-20-12-11-18-17-7-3-5-15-9-10-16-6-4-8-19(22(16)21(15)17)23(18)24(20)28-14(2)26/h3-12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.78 kcal/mol

Physical Properties
Molecular Weight: 368.388 g/mol	logS: -9.05494	SlogP: 5.5878	Reactive groups: 0

Topological Properties
Globularity: 0.0449732	Sterimol/B1: 2.75399	Sterimol/B2: 3.9868	Sterimol/B3: 4.77096
Sterimol/B4: 7.10471	Sterimol/L: 15.2214

Surface and Volume Properties
Accessible surface: 579.668	Positive charged surface: 275.43	Negative charged surface: 261.13	Volume: 342.875
Hydrophobic surface: 512.795	Hydrophilic surface: 66.873

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.