MMsINC Database Search


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MMsINC code: MMs02142050

Type: Neutral
Formula: C₁₃H₈F₄N₂O

SMILES:

Fc1cc(F)ccc1C(=O)NNc1ccc(F)cc1F

InChI:

InChI=1/C13H8F4N2O/c14-7-1-3-9(10(16)5-7)13(20)19-18-12-4-2-8(15)6-11(12)17/h1-6,18H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.7659 kcal/mol

Physical Properties
Molecular Weight: 284.212 g/mol	logS: -4.23208	SlogP: 2.9999	Reactive groups: 0

Topological Properties
Globularity: 4.53092e-07	Sterimol/B1: 2.09879	Sterimol/B2: 2.10113	Sterimol/B3: 2.56424
Sterimol/B4: 5.7583	Sterimol/L: 15.0001

Surface and Volume Properties
Accessible surface: 455.353	Positive charged surface: 186.981	Negative charged surface: 268.372	Volume: 223.25
Hydrophobic surface: 399.588	Hydrophilic surface: 55.765

Pharmacophoric Properties
Hydrogen bond donors: 2	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.