MMsINC Database Search


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MMsINC code: MMs00627218

Type: Neutral
Formula: C₂₀H₁₆O₄

SMILES:

O(C(=O)c1c2c(ccc1)cccc2)Cc1ccc(cc1)C(OC)=O

InChI:

InChI=1/C20H16O4/c1-23-19(21)16-11-9-14(10-12-16)13-24-20(22)18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.8333 kcal/mol

Physical Properties
Molecular Weight: 320.344 g/mol	logS: -5.79412	SlogP: 4.2498	Reactive groups: 0

Topological Properties
Globularity: 0.0357526	Sterimol/B1: 2.67166	Sterimol/B2: 4.13951	Sterimol/B3: 4.63158
Sterimol/B4: 5.01814	Sterimol/L: 19.4276

Surface and Volume Properties
Accessible surface: 593.062	Positive charged surface: 349.717	Negative charged surface: 232.444	Volume: 307.75
Hydrophobic surface: 518.93	Hydrophilic surface: 74.132

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.