MMsINC Database Search


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MMsINC code: MMs00049855

Type: Neutral
Formula: C₆H₃F₂NO₃

SMILES:

Fc1cc(F)cc([N+](=O)[O-])c1O

InChI:

InChI=1/C6H3F2NO3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.7577 kcal/mol

Physical Properties
Molecular Weight: 175.09 g/mol	logS: -2.40312	SlogP: 1.5786	Reactive groups: 0

Topological Properties
Globularity: 0.0117335	Sterimol/B1: 2.11715	Sterimol/B2: 2.24262	Sterimol/B3: 2.51975
Sterimol/B4: 5.44256	Sterimol/L: 9.31426

Surface and Volume Properties
Accessible surface: 304.842	Positive charged surface: 110.077	Negative charged surface: 194.765	Volume: 123.75
Hydrophobic surface: 185.566	Hydrophilic surface: 119.276

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.