MMsINC Database Search


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MMsINC code: MMs02198029

Type: Neutral
Formula: C₁₀H₁₀F₂N₂O₄

SMILES:

Fc1c(C(=O)N)c(C(=O)N)c(F)c(OC)c1OC

InChI:

InChI=1/C10H10F2N2O4/c1-17-7-5(11)3(9(13)15)4(10(14)16)6(12)8(7)18-2/h1-2H3,(H2,13,15)(H2,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.8833 kcal/mol

Physical Properties
Molecular Weight: 260.196 g/mol	logS: -2.57984	SlogP: 0.1798	Reactive groups: 0

Topological Properties
Globularity: 0.124768	Sterimol/B1: 2.20704	Sterimol/B2: 2.38785	Sterimol/B3: 4.64262
Sterimol/B4: 6.31224	Sterimol/L: 10.9248

Surface and Volume Properties
Accessible surface: 436.166	Positive charged surface: 291.305	Negative charged surface: 144.861	Volume: 205.75
Hydrophobic surface: 237.902	Hydrophilic surface: 198.264

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.