MMsINC Database Search


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MMsINC code: MMs02791825

Type: Neutral
Formula: C₁₄H₁₁F₃O

SMILES:

FC(F)(F)c1cc(ccc1)-c1cc(ccc1)CO

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.0945 kcal/mol

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

Topological Properties
Globularity: 0.0213817	Sterimol/B1: 2.46651	Sterimol/B2: 2.55796	Sterimol/B3: 2.92229
Sterimol/B4: 7.03377	Sterimol/L: 13.729

Surface and Volume Properties
Accessible surface: 448.13	Positive charged surface: 187.772	Negative charged surface: 249.286	Volume: 220.875
Hydrophobic surface: 281.135	Hydrophilic surface: 166.995

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.