MMsINC Database Search


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MMsINC code: MMs02435802

Type: Neutral
Formula: C₁₉H₁₃FO₃

SMILES:

Fc1cccc(C(OC)=O)c1C(=O)c1cc2c(cc1)cccc2

InChI:

InChI=1/C19H13FO3/c1-23-19(22)15-7-4-8-16(20)17(15)18(21)14-10-9-12-5-2-3-6-13(12)11-14/h2-11H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.6823 kcal/mol

Physical Properties
Molecular Weight: 308.308 g/mol	logS: -6.01228	SlogP: 3.9965	Reactive groups: 0

Topological Properties
Globularity: 0.140739	Sterimol/B1: 2.19023	Sterimol/B2: 4.14368	Sterimol/B3: 4.3316
Sterimol/B4: 8.89831	Sterimol/L: 14.4644

Surface and Volume Properties
Accessible surface: 531.699	Positive charged surface: 289.876	Negative charged surface: 230.716	Volume: 285.625
Hydrophobic surface: 482.634	Hydrophilic surface: 49.065

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.