MMsINC Database Search


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MMsINC code: MMs02879174

Type: Neutral
Formula: C₁₄H₁₀F₄O

SMILES:

Fc1ccc(cc1)C(O)c1ccc(cc1)C(F)(F)F

InChI:

InChI=1/C14H10F4O/c15-12-7-3-10(4-8-12)13(19)9-1-5-11(6-2-9)14(16,17)18/h1-8,13,19H/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.9038 kcal/mol

Physical Properties
Molecular Weight: 270.225 g/mol	logS: -4.27533	SlogP: 4.3332	Reactive groups: 0

Topological Properties
Globularity: 0.166151	Sterimol/B1: 2.41918	Sterimol/B2: 3.51987	Sterimol/B3: 4.59067
Sterimol/B4: 4.81192	Sterimol/L: 12.9795

Surface and Volume Properties
Accessible surface: 442.714	Positive charged surface: 164.952	Negative charged surface: 277.762	Volume: 223.625
Hydrophobic surface: 299.793	Hydrophilic surface: 142.921

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.