MMsINC Database Search


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MMsINC code: MMs02536530

Type: Neutral
Formula: C₈H₇F₂NO₃

SMILES:

FC(F)Oc1ccc(cc1)C(=O)NO

InChI:

InChI=1/C8H7F2NO3/c9-8(10)14-6-3-1-5(2-4-6)7(12)11-13/h1-4,8,13H,(H,11,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.8564 kcal/mol

Physical Properties
Molecular Weight: 203.144 g/mol	logS: -1.57464	SlogP: 1.8269	Reactive groups: 0

Topological Properties
Globularity: 0.0160959	Sterimol/B1: 2.44057	Sterimol/B2: 2.63593	Sterimol/B3: 2.64021
Sterimol/B4: 4.84706	Sterimol/L: 12.6859

Surface and Volume Properties
Accessible surface: 360.011	Positive charged surface: 170.462	Negative charged surface: 189.549	Volume: 158
Hydrophobic surface: 152.72	Hydrophilic surface: 207.291

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.