MMsINC Database Search


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MMsINC code: MMs02791531

Type: Neutral
Formula: C₁₄H₁₁F₃O

SMILES:

FC(F)(F)c1cc(ccc1)-c1ccccc1CO

InChI:

InChI=1/C14H11F3O/c15-14(16,17)12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-18/h1-8,18H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.9129 kcal/mol

Physical Properties
Molecular Weight: 252.235 g/mol	logS: -4.63883	SlogP: 4.4426	Reactive groups: 0

Topological Properties
Globularity: 0.0963465	Sterimol/B1: 3.1198	Sterimol/B2: 3.36049	Sterimol/B3: 3.74096
Sterimol/B4: 6.10092	Sterimol/L: 12.67

Surface and Volume Properties
Accessible surface: 441.818	Positive charged surface: 197.285	Negative charged surface: 240.349	Volume: 220
Hydrophobic surface: 283.766	Hydrophilic surface: 158.052

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.