MMsINC Database Search


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MMsINC code: MMs02324467

Type: Neutral
Formula: C₁₅H₁₀O₄

SMILES:

OC(=O)c1ccccc1C(=O)C(=O)c1ccccc1

InChI:

InChI=1/C15H10O4/c16-13(10-6-2-1-3-7-10)14(17)11-8-4-5-9-12(11)15(18)19/h1-9H,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.5741 kcal/mol

Physical Properties
Molecular Weight: 254.241 g/mol	logS: -3.75844	SlogP: 2.4504	Reactive groups: 1

Topological Properties
Globularity: 0.0746172	Sterimol/B1: 2.90413	Sterimol/B2: 4.08573	Sterimol/B3: 4.42433
Sterimol/B4: 5.28734	Sterimol/L: 13.5244

Surface and Volume Properties
Accessible surface: 448.909	Positive charged surface: 226.419	Negative charged surface: 222.491	Volume: 232.75
Hydrophobic surface: 324.401	Hydrophilic surface: 124.508

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02324468
NCID-ZINC01692865