MMsINC Database Search


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MMsINC code: MMs00695045

Type: Neutral
Formula: C₁₄H₁₀O₃

SMILES:

Oc1ccc(cc1)C(=O)C(=O)c1ccccc1

InChI:

InChI=1/C14H10O3/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9,15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.7553 kcal/mol

Physical Properties
Molecular Weight: 226.231 g/mol	logS: -3.42709	SlogP: 2.4578	Reactive groups: 1

Topological Properties
Globularity: 0.121852	Sterimol/B1: 2.44665	Sterimol/B2: 3.25314	Sterimol/B3: 4.14785
Sterimol/B4: 5.03592	Sterimol/L: 13.4163

Surface and Volume Properties
Accessible surface: 435.229	Positive charged surface: 217.856	Negative charged surface: 217.373	Volume: 214.25
Hydrophobic surface: 321.715	Hydrophilic surface: 113.514

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.