MMsINC Database Search


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MMsINC code: MMs02196879

Type: Neutral
Formula: C₁₆H₁₀O₄

SMILES:

O1c2c(C=CC1=O)ccc(O)c2C(=O)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.024 kcal/mol

Physical Properties
Molecular Weight: 266.252 g/mol	logS: -4.48186	SlogP: 2.5554	Reactive groups: 0

Topological Properties
Globularity: 0.161069	Sterimol/B1: 3.17622	Sterimol/B2: 4.69805	Sterimol/B3: 5.2699
Sterimol/B4: 5.64436	Sterimol/L: 12.6655

Surface and Volume Properties
Accessible surface: 468.023	Positive charged surface: 233.736	Negative charged surface: 234.286	Volume: 241
Hydrophobic surface: 334.854	Hydrophilic surface: 133.169

Pharmacophoric Properties
Hydrogen bond donors: 1	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.