MMsINC Database Search


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MMsINC code: MMs00867467

Type: Neutral
Formula: C₁₅H₁₂O₃

SMILES:

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

InChI:

InChI=1/C15H12O3/c1-18-13-9-7-12(8-10-13)15(17)14(16)11-5-3-2-4-6-11/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.7789 kcal/mol

Physical Properties
Molecular Weight: 240.258 g/mol	logS: -3.83942	SlogP: 2.7608	Reactive groups: 1

Topological Properties
Globularity: 0.0973072	Sterimol/B1: 2.00324	Sterimol/B2: 3.52686	Sterimol/B3: 4.76483
Sterimol/B4: 6.16802	Sterimol/L: 14.3443

Surface and Volume Properties
Accessible surface: 458.577	Positive charged surface: 258.115	Negative charged surface: 200.462	Volume: 234.75
Hydrophobic surface: 386.654	Hydrophilic surface: 71.923

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.