MMsINC Database Search


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MMsINC code: MMs01283327

Type: Neutral
Formula: C₁₉H₁₅FO₂

SMILES:

Fc1cc(C(=O)C)c(OCc2c3c(ccc2)cccc3)cc1

InChI:

InChI=1/C19H15FO2/c1-13(21)18-11-16(20)9-10-19(18)22-12-15-7-4-6-14-5-2-3-8-17(14)15/h2-11H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.541 kcal/mol

Physical Properties
Molecular Weight: 294.325 g/mol	logS: -5.68829	SlogP: 5.0269	Reactive groups: 0

Topological Properties
Globularity: 0.00616932	Sterimol/B1: 2.37291	Sterimol/B2: 2.38122	Sterimol/B3: 2.90527
Sterimol/B4: 7.5048	Sterimol/L: 14.9662

Surface and Volume Properties
Accessible surface: 522.648	Positive charged surface: 265.063	Negative charged surface: 247.015	Volume: 282.875
Hydrophobic surface: 491.989	Hydrophilic surface: 30.659

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.