MMsINC Database Search


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MMsINC code: MMs02310663

Type: Neutral
Formula: C₁₄H₁₀O₆

SMILES:

Oc1cc(ccc1O)C(=O)C(=O)c1cc(O)c(O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.9567 kcal/mol

Physical Properties
Molecular Weight: 274.228 g/mol	logS: -2.34124	SlogP: 1.5746	Reactive groups: 1

Topological Properties
Globularity: 0.0813021	Sterimol/B1: 2.84743	Sterimol/B2: 3.30665	Sterimol/B3: 4.07515
Sterimol/B4: 4.63907	Sterimol/L: 14.2621

Surface and Volume Properties
Accessible surface: 472.319	Positive charged surface: 256.945	Negative charged surface: 215.374	Volume: 233
Hydrophobic surface: 216.437	Hydrophilic surface: 255.882

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.