MMsINC Database Search


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MMsINC code: MMs00593206

Type: Neutral
Formula: C₁₅H₁₀O₄

SMILES:

O1C=C(Oc2ccccc2)C(=O)c2c1cc(O)cc2

InChI:

InChI=1/C15H10O4/c16-10-6-7-12-13(8-10)18-9-14(15(12)17)19-11-4-2-1-3-5-11/h1-9,16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.2605 kcal/mol

Physical Properties
Molecular Weight: 254.241 g/mol	logS: -3.93858	SlogP: 2.8877	Reactive groups: 1

Topological Properties
Globularity: 0.0637542	Sterimol/B1: 3.27525	Sterimol/B2: 3.60591	Sterimol/B3: 3.70082
Sterimol/B4: 5.20217	Sterimol/L: 14.7307

Surface and Volume Properties
Accessible surface: 453.542	Positive charged surface: 243.18	Negative charged surface: 210.362	Volume: 229.375
Hydrophobic surface: 361.86	Hydrophilic surface: 91.682

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.