MMsINC Database Search


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MMsINC code: MMs01457620

Type: Neutral
Formula: C₁₇H₁₃F₃N₂O₄

SMILES:

Fc1c(F)c(F)ccc1NC(=O)COC(=O)c1cc(NC(=O)C)ccc1

InChI:

InChI=1/C17H13F3N2O4/c1-9(23)21-11-4-2-3-10(7-11)17(25)26-8-14(24)22-13-6-5-12(18)15(19)16(13)20/h2-7H,8H2,1H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.7406 kcal/mol

Physical Properties
Molecular Weight: 366.295 g/mol	logS: -4.85743	SlogP: 2.8578	Reactive groups: 0

Topological Properties
Globularity: 0.00689782	Sterimol/B1: 2.56933	Sterimol/B2: 2.64857	Sterimol/B3: 2.68786
Sterimol/B4: 6.53316	Sterimol/L: 19.9507

Surface and Volume Properties
Accessible surface: 594.089	Positive charged surface: 311.927	Negative charged surface: 282.162	Volume: 299.875
Hydrophobic surface: 463.404	Hydrophilic surface: 130.685

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.