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MMsINC code: MMs02255930

Type: Tautomer
Formula: C₁₆H₁₀O₄

SMILES:

OC=1c2c(cccc2)C(=O)C=1C(=O)c1ccc(O)cc1

InChI:

InChI=1/C16H10O4/c17-10-7-5-9(6-8-10)14(18)13-15(19)11-3-1-2-4-12(11)16(13)20/h1-8,17,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5763 kcal/mol

Physical Properties
Molecular Weight: 266.252 g/mol	logS: -3.73898	SlogP: 2.7405	Reactive groups: 1

Topological Properties
Globularity: 0.0721446	Sterimol/B1: 2.3261	Sterimol/B2: 3.75153	Sterimol/B3: 4.42334
Sterimol/B4: 4.47924	Sterimol/L: 14.4015

Surface and Volume Properties
Accessible surface: 473.418	Positive charged surface: 243.839	Negative charged surface: 229.579	Volume: 240.5
Hydrophobic surface: 318.197	Hydrophilic surface: 155.221

Pharmacophoric Properties
Hydrogen bond donors: 4	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

search links for this molecule:

Parent related molecule:

MMs02255929
NCID-ZINC01603191