MMsINC Database Search


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MMsINC code: MMs02357736

Type: Neutral
Formula: C₁₅H₁₂O₄

SMILES:

O(C(=O)C)c1cc(O)c(cc1)C(=O)c1ccccc1

InChI:

InChI=1/C15H12O4/c1-10(16)19-12-7-8-13(14(17)9-12)15(18)11-5-3-2-4-6-11/h2-9,17H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.682 kcal/mol

Physical Properties
Molecular Weight: 256.257 g/mol	logS: -3.44926	SlogP: 2.5485	Reactive groups: 0

Topological Properties
Globularity: 0.0902451	Sterimol/B1: 3.41991	Sterimol/B2: 3.52265	Sterimol/B3: 4.19748
Sterimol/B4: 5.4415	Sterimol/L: 15.2353

Surface and Volume Properties
Accessible surface: 483.785	Positive charged surface: 258.526	Negative charged surface: 225.259	Volume: 240.25
Hydrophobic surface: 369.421	Hydrophilic surface: 114.364

Pharmacophoric Properties
Hydrogen bond donors: 1	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.