MMsINC Database Search


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MMsINC code: MMs00005772

Type: Neutral
Formula: C₁₀H₁₀O₄

SMILES:

Oc1ccc(cc1C(OC)=O)C(=O)C

InChI:

InChI=1/C10H10O4/c1-6(11)7-3-4-9(12)8(5-7)10(13)14-2/h3-5,12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.0222 kcal/mol

Physical Properties
Molecular Weight: 194.186 g/mol	logS: -1.71693	SlogP: 1.3814	Reactive groups: 0

Topological Properties
Globularity: 0.0187051	Sterimol/B1: 2.35055	Sterimol/B2: 2.44004	Sterimol/B3: 3.21531
Sterimol/B4: 5.63802	Sterimol/L: 12.0789

Surface and Volume Properties
Accessible surface: 390.344	Positive charged surface: 254.338	Negative charged surface: 136.006	Volume: 179.25
Hydrophobic surface: 274.939	Hydrophilic surface: 115.405

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.