MMsINC Database Search


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MMsINC code: MMs02550314

Type: Neutral
Formula: C₁₅H₁₅FO

SMILES:

Fc1ccc(cc1)C(O)c1cc(cc(c1)C)C

InChI:

InChI=1/C15H15FO/c1-10-7-11(2)9-13(8-10)15(17)12-3-5-14(16)6-4-12/h3-9,15,17H,1-2H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.131 kcal/mol

Physical Properties
Molecular Weight: 230.282 g/mol	logS: -4.16662	SlogP: 3.61974	Reactive groups: 0

Topological Properties
Globularity: 0.157041	Sterimol/B1: 2.24072	Sterimol/B2: 3.01048	Sterimol/B3: 4.84048
Sterimol/B4: 7.28786	Sterimol/L: 11.9274

Surface and Volume Properties
Accessible surface: 452.026	Positive charged surface: 244.056	Negative charged surface: 207.97	Volume: 232.625
Hydrophobic surface: 414.46	Hydrophilic surface: 37.566

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.