MMsINC Database Search


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MMsINC code: MMs03674808

Type: Neutral
Formula: C₉H₇F₃N₂O₃

SMILES:

FC(F)(F)C(=O)NNC(=O)c1ccccc1O

InChI:

InChI=1/C9H7F3N2O3/c10-9(11,12)8(17)14-13-7(16)5-3-1-2-4-6(5)15/h1-4,15H,(H,13,16)(H,14,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.428 kcal/mol

Physical Properties
Molecular Weight: 248.16 g/mol	logS: -2.53654	SlogP: 1.1354	Reactive groups: 0

Topological Properties
Globularity: 0.0124859	Sterimol/B1: 2.54712	Sterimol/B2: 2.56077	Sterimol/B3: 2.71162
Sterimol/B4: 5.84957	Sterimol/L: 13.6735

Surface and Volume Properties
Accessible surface: 414.495	Positive charged surface: 163.196	Negative charged surface: 251.298	Volume: 185.125
Hydrophobic surface: 162.904	Hydrophilic surface: 251.591

Pharmacophoric Properties
Hydrogen bond donors: 3	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.