MMsINC Database Search


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MMsINC code: MMs01337371

Type: Neutral
Formula: C₁₇H₁₄F₂N₂O₄

SMILES:

Fc1cc(F)ccc1NC(=O)COC(=O)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C17H14F2N2O4/c1-10(22)20-13-5-2-11(3-6-13)17(24)25-9-16(23)21-15-7-4-12(18)8-14(15)19/h2-8H,9H2,1H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.0415 kcal/mol

Physical Properties
Molecular Weight: 348.305 g/mol	logS: -4.56245	SlogP: 2.7187	Reactive groups: 0

Topological Properties
Globularity: 0.00735093	Sterimol/B1: 2.55367	Sterimol/B2: 2.65751	Sterimol/B3: 2.72379
Sterimol/B4: 6.90504	Sterimol/L: 19.5733

Surface and Volume Properties
Accessible surface: 600.186	Positive charged surface: 328.507	Negative charged surface: 271.679	Volume: 298.125
Hydrophobic surface: 463.759	Hydrophilic surface: 136.427

Pharmacophoric Properties
Hydrogen bond donors: 2	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.