MMsINC Database Search


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MMsINC code: MMs01440575

Type: Neutral
Formula: C₁₇H₁₄F₃NO₄

SMILES:

Fc1c(F)c(F)ccc1NC(=O)COC(=O)COc1ccccc1C

InChI:

InChI=1/C17H14F3NO4/c1-10-4-2-3-5-13(10)24-9-15(23)25-8-14(22)21-12-7-6-11(18)16(19)17(12)20/h2-7H,8-9H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.2237 kcal/mol

Physical Properties
Molecular Weight: 353.296 g/mol	logS: -4.88527	SlogP: 2.97302	Reactive groups: 1

Topological Properties
Globularity: 0.0105994	Sterimol/B1: 1.969	Sterimol/B2: 2.5209	Sterimol/B3: 2.87872
Sterimol/B4: 6.80999	Sterimol/L: 19.4829

Surface and Volume Properties
Accessible surface: 593.909	Positive charged surface: 320.074	Negative charged surface: 273.835	Volume: 297.5
Hydrophobic surface: 504.872	Hydrophilic surface: 89.037

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.