MMsINC Database Search


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MMsINC code: MMs02550362

Type: Neutral
Formula: C₁₅H₁₅FO

SMILES:

Fc1ccc(cc1)C(O)c1ccc(cc1)CC

InChI:

InChI=1/C15H15FO/c1-2-11-3-5-12(6-4-11)15(17)13-7-9-14(16)10-8-13/h3-10,15,17H,2H2,1H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.6693 kcal/mol

Physical Properties
Molecular Weight: 230.282 g/mol	logS: -4.20792	SlogP: 3.56527	Reactive groups: 0

Topological Properties
Globularity: 0.120656	Sterimol/B1: 3.45212	Sterimol/B2: 3.58643	Sterimol/B3: 3.85278
Sterimol/B4: 4.33712	Sterimol/L: 14.3129

Surface and Volume Properties
Accessible surface: 453.129	Positive charged surface: 249.513	Negative charged surface: 203.616	Volume: 234.125
Hydrophobic surface: 391.63	Hydrophilic surface: 61.499

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.