MMsINC Database Search


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MMsINC code: MMs03936738

Type: Neutral
Formula: C₁₄H₇F₅O₂

SMILES:

Fc1c(CC(=O)c2ccccc2O)c(F)c(F)c(F)c1F

InChI:

InChI=1/C14H7F5O2/c15-10-7(11(16)13(18)14(19)12(10)17)5-9(21)6-3-1-2-4-8(6)20/h1-4,20H,5H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.8233 kcal/mol

Physical Properties
Molecular Weight: 302.198 g/mol	logS: -4.63211	SlogP: 3.51307	Reactive groups: 0

Topological Properties
Globularity: 0.0978342	Sterimol/B1: 2.45478	Sterimol/B2: 3.6906	Sterimol/B3: 4.09052
Sterimol/B4: 5.56986	Sterimol/L: 14.5446

Surface and Volume Properties
Accessible surface: 460.28	Positive charged surface: 198.128	Negative charged surface: 262.152	Volume: 228.625
Hydrophobic surface: 398.838	Hydrophilic surface: 61.442

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.