MMsINC Database Search


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MMsINC code: MMs00053814

Type: Neutral
Formula: C₇H₄F₄O

SMILES:

Fc1cc(O)c(cc1)C(F)(F)F

InChI:

InChI=1/C7H4F4O/c8-4-1-2-5(6(12)3-4)7(9,10)11/h1-3,12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.3794 kcal/mol

Physical Properties
Molecular Weight: 180.1 g/mol	logS: -2.37446	SlogP: 2.8616	Reactive groups: 0

Topological Properties
Globularity: 0.0570076	Sterimol/B1: 2.46455	Sterimol/B2: 2.65205	Sterimol/B3: 2.80688
Sterimol/B4: 5.05748	Sterimol/L: 9.14209

Surface and Volume Properties
Accessible surface: 305.191	Positive charged surface: 104.809	Negative charged surface: 200.382	Volume: 127.375
Hydrophobic surface: 166.707	Hydrophilic surface: 138.484

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.