MMsINC Database Search


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MMsINC code: MMs03152953

Type: Neutral
Formula: C₉H₅F₇O

SMILES:

FC(C(F)(F)F)(C(F)(F)F)c1ccc(O)cc1

InChI:

InChI=1/C9H5F7O/c10-7(8(11,12)13,9(14,15)16)5-1-3-6(17)4-2-5/h1-4,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.6998 kcal/mol

Physical Properties
Molecular Weight: 262.124 g/mol	logS: -3.48616	SlogP: 4.8329	Reactive groups: 0

Topological Properties
Globularity: 0.113812	Sterimol/B1: 2.57337	Sterimol/B2: 2.73809	Sterimol/B3: 3.82334
Sterimol/B4: 4.85099	Sterimol/L: 10.8837

Surface and Volume Properties
Accessible surface: 365.245	Positive charged surface: 108.485	Negative charged surface: 256.759	Volume: 170.625
Hydrophobic surface: 124.776	Hydrophilic surface: 240.469

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.