MMsINC Database Search


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MMsINC code: MMs00724771

Type: Neutral
Formula: C₁₇H₁₀F₄O₄

SMILES:

Fc1ccccc1OC=1C(=O)c2c(OC=1C(F)(F)F)c(C)c(O)cc2

InChI:

InChI=1/C17H10F4O4/c1-8-11(22)7-6-9-13(23)15(16(17(19,20)21)25-14(8)9)24-12-5-3-2-4-10(12)18/h2-7,22H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.3783 kcal/mol

Physical Properties
Molecular Weight: 354.255 g/mol	logS: -5.77582	SlogP: 4.68762	Reactive groups: 1

Topological Properties
Globularity: 0.0994245	Sterimol/B1: 3.17097	Sterimol/B2: 3.5189	Sterimol/B3: 4.42911
Sterimol/B4: 6.25781	Sterimol/L: 15.1013

Surface and Volume Properties
Accessible surface: 523.463	Positive charged surface: 233.469	Negative charged surface: 289.994	Volume: 276.625
Hydrophobic surface: 362.676	Hydrophilic surface: 160.787

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.