MMsINC Database Search


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MMsINC code: MMs02483702

Type: Neutral
Formula: C₁₀H₁₀O₄

SMILES:

O1c2c(C(=O)C1C)c(OC)cc(O)c2

InChI:

InChI=1/C10H10O4/c1-5-10(12)9-7(13-2)3-6(11)4-8(9)14-5/h3-5,11H,1-2H3/t5-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.0457 kcal/mol

Physical Properties
Molecular Weight: 194.186 g/mol	logS: -1.90465	SlogP: 1.3644	Reactive groups: 0

Topological Properties
Globularity: 0.0540916	Sterimol/B1: 2.45684	Sterimol/B2: 3.56809	Sterimol/B3: 4.23393
Sterimol/B4: 5.02208	Sterimol/L: 10.8704

Surface and Volume Properties
Accessible surface: 382.71	Positive charged surface: 263.28	Negative charged surface: 119.43	Volume: 175.75
Hydrophobic surface: 249.999	Hydrophilic surface: 132.711

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.