MMsINC Database Search


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MMsINC code: MMs02741711

Type: Neutral
Formula: C₁₃H₁₀O₄

SMILES:

Oc1cc(O)cc(O)c1C(=O)c1ccccc1

InChI:

InChI=1/C13H10O4/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8/h1-7,14-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.891 kcal/mol

Physical Properties
Molecular Weight: 230.219 g/mol	logS: -2.37184	SlogP: 2.0344	Reactive groups: 0

Topological Properties
Globularity: 0.153023	Sterimol/B1: 2.86692	Sterimol/B2: 2.93487	Sterimol/B3: 4.59247
Sterimol/B4: 5.06099	Sterimol/L: 13.1627

Surface and Volume Properties
Accessible surface: 429.735	Positive charged surface: 235.744	Negative charged surface: 193.991	Volume: 209.25
Hydrophobic surface: 264.606	Hydrophilic surface: 165.129

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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.