MMsINC Database Search


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MMsINC code: MMs03809400

Type: Neutral
Formula: C₂₄H₁₆O₄

SMILES:

O1C(c2c(cc3c(c2)cccc3)C1=O)(c1ccc(O)cc1)c1ccc(O)cc1

InChI:

InChI=1/C24H16O4/c25-19-9-5-17(6-10-19)24(18-7-11-20(26)12-8-18)22-14-16-4-2-1-3-15(16)13-21(22)23(27)28-24/h1-14,25-26H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.721 kcal/mol

Physical Properties
Molecular Weight: 368.388 g/mol	logS: -6.57879	SlogP: 5.0248	Reactive groups: 0

Topological Properties
Globularity: 0.325254	Sterimol/B1: 3.75482	Sterimol/B2: 6.21738	Sterimol/B3: 6.7116
Sterimol/B4: 6.7164	Sterimol/L: 13.1088

Surface and Volume Properties
Accessible surface: 593.26	Positive charged surface: 307.205	Negative charged surface: 275.473	Volume: 342.5
Hydrophobic surface: 439.494	Hydrophilic surface: 153.766

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.