MMsINC Database Search


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MMsINC code: MMs02550311

Type: Neutral
Formula: C₁₅H₁₅FO

SMILES:

Fc1cc(ccc1)C(O)c1cc(cc(c1)C)C

InChI:

InChI=1/C15H15FO/c1-10-6-11(2)8-13(7-10)15(17)12-4-3-5-14(16)9-12/h3-9,15,17H,1-2H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.1342 kcal/mol

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

Topological Properties
Globularity: 0.155946	Sterimol/B1: 2.12264	Sterimol/B2: 2.80899	Sterimol/B3: 4.91269
Sterimol/B4: 7.20472	Sterimol/L: 12.1843

Surface and Volume Properties
Accessible surface: 452.503	Positive charged surface: 244.698	Negative charged surface: 207.805	Volume: 232.875
Hydrophobic surface: 414.775	Hydrophilic surface: 37.728

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.