MMsINC Database Search


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MMsINC code: MMs02741665

Type: Neutral
Formula: C₁₀H₈O₃

SMILES:

Oc1c2c(cc(O)c1)cccc2O

InChI:

InChI=1/C10H8O3/c11-7-4-6-2-1-3-8(12)10(6)9(13)5-7/h1-5,11-13H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.6329 kcal/mol

Physical Properties
Molecular Weight: 176.171 g/mol	logS: -2.17691	SlogP: 1.9566	Reactive groups: 0

Topological Properties
Globularity: 0.0167481	Sterimol/B1: 2.09792	Sterimol/B2: 2.34733	Sterimol/B3: 2.97048
Sterimol/B4: 5.92537	Sterimol/L: 10.5856

Surface and Volume Properties
Accessible surface: 349.099	Positive charged surface: 199.097	Negative charged surface: 138.931	Volume: 159.875
Hydrophobic surface: 218.721	Hydrophilic surface: 130.378

Pharmacophoric Properties
Hydrogen bond donors: 3	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.