MMsINC Database Search


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MMsINC code: MMs01341706

Type: Neutral
Formula: C₁₅H₁₀O₄

SMILES:

OC(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1

InChI:

InChI=1/C15H10O4/c16-13(10-4-2-1-3-5-10)14(17)11-6-8-12(9-7-11)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)=69.3073 kcal/mol

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

Topological Properties
Globularity: 0.095845	Sterimol/B1: 2.82699	Sterimol/B2: 3.33254	Sterimol/B3: 4.79816
Sterimol/B4: 5.43623	Sterimol/L: 14.3886

Surface and Volume Properties
Accessible surface: 462.264	Positive charged surface: 224.349	Negative charged surface: 237.915	Volume: 234.5
Hydrophobic surface: 301.059	Hydrophilic surface: 161.205

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

MMs01341707
ENAMINE-ZINC03269660