MMsINC Database Search


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MMsINC code: MMs02269016

Type: Neutral
Formula: C₁₆H₁₂O₄

SMILES:

OC(=O)c1ccccc1C(=O)c1ccc(cc1)C(=O)C

InChI:

InChI=1/C16H12O4/c1-10(17)11-6-8-12(9-7-11)15(18)13-4-2-3-5-14(13)16(19)20/h2-9H,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.3427 kcal/mol

Physical Properties
Molecular Weight: 268.268 g/mol	logS: -3.73936	SlogP: 2.8184	Reactive groups: 0

Topological Properties
Globularity: 0.17161	Sterimol/B1: 2.33214	Sterimol/B2: 3.22702	Sterimol/B3: 5.43852
Sterimol/B4: 5.83142	Sterimol/L: 13.7662

Surface and Volume Properties
Accessible surface: 477.77	Positive charged surface: 251.337	Negative charged surface: 226.433	Volume: 250.5
Hydrophobic surface: 332.856	Hydrophilic surface: 144.914

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02269017
NCID-ZINC01621063