MMsINC Database Search


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MMsINC code: MMs01228354

Type: Neutral
Formula: C₁₆H₁₁FO₄

SMILES:

Fc1ccccc1OC=1C(=O)c2c(OC=1C)cc(O)cc2

InChI:

InChI=1/C16H11FO4/c1-9-16(21-13-5-3-2-4-12(13)17)15(19)11-7-6-10(18)8-14(11)20-9/h2-8,18H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.1359 kcal/mol

Physical Properties
Molecular Weight: 286.258 g/mol	logS: -4.53972	SlogP: 3.4169	Reactive groups: 1

Topological Properties
Globularity: 0.0961734	Sterimol/B1: 2.27988	Sterimol/B2: 3.6798	Sterimol/B3: 4.08364
Sterimol/B4: 6.6856	Sterimol/L: 15.0331

Surface and Volume Properties
Accessible surface: 487.076	Positive charged surface: 254.032	Negative charged surface: 233.044	Volume: 251.875
Hydrophobic surface: 401.928	Hydrophilic surface: 85.148

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.