MMsINC Database Search


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MMsINC code: MMs02168375

Type: Neutral
Formula: C₁₅H₁₃FO₂

SMILES:

Fc1cc(C(=O)C)c(OCc2ccccc2)cc1

InChI:

InChI=1/C15H13FO2/c1-11(17)14-9-13(16)7-8-15(14)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.4341 kcal/mol

Physical Properties
Molecular Weight: 244.265 g/mol	logS: -3.81041	SlogP: 3.8737	Reactive groups: 0

Topological Properties
Globularity: 0.0814	Sterimol/B1: 2.49388	Sterimol/B2: 3.61726	Sterimol/B3: 3.6182
Sterimol/B4: 7.70027	Sterimol/L: 14.033

Surface and Volume Properties
Accessible surface: 474.536	Positive charged surface: 257.793	Negative charged surface: 216.743	Volume: 237
Hydrophobic surface: 436.922	Hydrophilic surface: 37.614

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.