MMsINC Database Search


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MMsINC code: MMs02214302

Type: Neutral
Formula: C₁₃H₁₀O₃

SMILES:

Oc1ccccc1C(=O)c1ccc(O)cc1

InChI:

InChI=1/C13H10O3/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8,14-15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.6724 kcal/mol

Physical Properties
Molecular Weight: 214.22 g/mol	logS: -2.73379	SlogP: 2.3288	Reactive groups: 0

Topological Properties
Globularity: 0.14755	Sterimol/B1: 2.48956	Sterimol/B2: 3.70977	Sterimol/B3: 4.6096
Sterimol/B4: 5.25851	Sterimol/L: 12.7294

Surface and Volume Properties
Accessible surface: 419.131	Positive charged surface: 226.737	Negative charged surface: 192.394	Volume: 202.375
Hydrophobic surface: 294.906	Hydrophilic surface: 124.225

Pharmacophoric Properties
Hydrogen bond donors: 2	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.