MMsINC Database Search


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MMsINC code: MMs00735758

Type: Neutral
Formula: C₁₄H₁₅F₅O₂

SMILES:

FC(F)(CCCOC(=O)CCc1ccccc1)C(F)(F)F

InChI:

InChI=1/C14H15F5O2/c15-13(16,14(17,18)19)9-4-10-21-12(20)8-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.556 kcal/mol

Physical Properties
Molecular Weight: 310.262 g/mol	logS: -3.89987	SlogP: 4.97997	Reactive groups: 1

Topological Properties
Globularity: 0.037702	Sterimol/B1: 2.31629	Sterimol/B2: 3.61743	Sterimol/B3: 3.61879
Sterimol/B4: 4.33602	Sterimol/L: 18.6364

Surface and Volume Properties
Accessible surface: 535.879	Positive charged surface: 253.83	Negative charged surface: 282.049	Volume: 256.875
Hydrophobic surface: 342.944	Hydrophilic surface: 192.935

Pharmacophoric Properties
Hydrogen bond donors: 0	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.