MMsINC Database Search


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MMsINC code: MMs01376527

Type: Neutral
Formula: C₁₁H₁₁F₂NO₄

SMILES:

FC(F)Oc1cc(ccc1)C(=O)NCC(OC)=O

InChI:

InChI=1/C11H11F2NO4/c1-17-9(15)6-14-10(16)7-3-2-4-8(5-7)18-11(12)13/h2-5,11H,6H2,1H3,(H,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.5829 kcal/mol

Physical Properties
Molecular Weight: 259.208 g/mol	logS: -2.07343	SlogP: 1.6107	Reactive groups: 1

Topological Properties
Globularity: 0.0121779	Sterimol/B1: 2.63716	Sterimol/B2: 2.63969	Sterimol/B3: 3.76338
Sterimol/B4: 4.53972	Sterimol/L: 16.7524

Surface and Volume Properties
Accessible surface: 462.636	Positive charged surface: 275.591	Negative charged surface: 187.045	Volume: 215.375
Hydrophobic surface: 281.318	Hydrophilic surface: 181.318

Pharmacophoric Properties
Hydrogen bond donors: 1	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.