MMsINC Database Search


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MMsINC code: MMs02227666

Type: Neutral
Formula: C₁₈H₁₄O₄

SMILES:

O(C(=O)C)c1cc(OC(=O)C)cc2c1c1c(cc2)cccc1

InChI:

InChI=1/C18H14O4/c1-11(19)21-15-9-14-8-7-13-5-3-4-6-16(13)18(14)17(10-15)22-12(2)20/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.824 kcal/mol

Physical Properties
Molecular Weight: 294.306 g/mol	logS: -5.84768	SlogP: 3.8436	Reactive groups: 0

Topological Properties
Globularity: 0.0371858	Sterimol/B1: 2.76385	Sterimol/B2: 3.84146	Sterimol/B3: 5.64502
Sterimol/B4: 6.0891	Sterimol/L: 14.9878

Surface and Volume Properties
Accessible surface: 519.786	Positive charged surface: 271.703	Negative charged surface: 228.468	Volume: 274.25
Hydrophobic surface: 441.928	Hydrophilic surface: 77.858

Pharmacophoric Properties
Hydrogen bond donors: 0	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.