MMsINC Database Search


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MMsINC code: MMs02356373

Type: Neutral
Formula: C₁₅H₁₂O₃

SMILES:

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

InChI:

InChI=1/C15H12O3/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.5103 kcal/mol

Physical Properties
Molecular Weight: 240.258 g/mol	logS: -3.38956	SlogP: 2.4722	Reactive groups: 0

Topological Properties
Globularity: 0.3036	Sterimol/B1: 3.52153	Sterimol/B2: 3.62673	Sterimol/B3: 4.02146
Sterimol/B4: 6.86584	Sterimol/L: 11.5363

Surface and Volume Properties
Accessible surface: 453.44	Positive charged surface: 234.945	Negative charged surface: 218.495	Volume: 227.875
Hydrophobic surface: 334.725	Hydrophilic surface: 118.715

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02356374
NCID-ZINC01733983