MMsINC Database Search


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MMsINC code: MMs00489811

Type: Neutral
Formula: C₁₁H₇F₄N₃O

SMILES:

Fc1c(NC(=O)c2nn(cc2)C)c(F)c(F)cc1F

InChI:

InChI=1/C11H7F4N3O/c1-18-3-2-7(17-18)11(19)16-10-8(14)5(12)4-6(13)9(10)15/h2-4H,1H3,(H,16,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.624 kcal/mol

Physical Properties
Molecular Weight: 273.189 g/mol	logS: -3.01776	SlogP: 2.588	Reactive groups: 0

Topological Properties
Globularity: 0.0910757	Sterimol/B1: 2.15396	Sterimol/B2: 3.49259	Sterimol/B3: 4.17261
Sterimol/B4: 5.24493	Sterimol/L: 14.3495

Surface and Volume Properties
Accessible surface: 449.07	Positive charged surface: 227.156	Negative charged surface: 221.914	Volume: 209.375
Hydrophobic surface: 361.003	Hydrophilic surface: 88.067

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.