MMsINC Database Search


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MMsINC code: MMs03385051

Type: Neutral
Formula: C₁₄H₁₀O₆

SMILES:

Oc1c2c(C(=O)CCC2=O)c(O)c2c1c(O)ccc2O

InChI:

InChI=1/C14H10O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-2,15-16,19-20H,3-4H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.4938 kcal/mol

Physical Properties
Molecular Weight: 274.228 g/mol	logS: -2.33746	SlogP: 1.8214	Reactive groups: 0

Topological Properties
Globularity: 0.0275019	Sterimol/B1: 2.79165	Sterimol/B2: 2.95486	Sterimol/B3: 3.87137
Sterimol/B4: 5.25048	Sterimol/L: 12.1547

Surface and Volume Properties
Accessible surface: 437.424	Positive charged surface: 264.91	Negative charged surface: 161.443	Volume: 227.875
Hydrophobic surface: 225.68	Hydrophilic surface: 211.744

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	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.