MMsINC Database Search


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MMsINC code: MMs01556310

Type: Neutral
Formula: C₂₀H₁₄F₃NO₃

SMILES:

Fc1c(F)c(F)ccc1NC(=O)C(OC(=O)c1c2c(ccc1)cccc2)C

InChI:

InChI=1/C20H14F3NO3/c1-11(19(25)24-16-10-9-15(21)17(22)18(16)23)27-20(26)14-8-4-6-12-5-2-3-7-13(12)14/h2-11H,1H3,(H,24,25)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.412 kcal/mol

Physical Properties
Molecular Weight: 373.33 g/mol	logS: -6.85307	SlogP: 4.4411	Reactive groups: 0

Topological Properties
Globularity: 0.0463241	Sterimol/B1: 2.25361	Sterimol/B2: 2.31648	Sterimol/B3: 4.96923
Sterimol/B4: 6.73789	Sterimol/L: 18.4455

Surface and Volume Properties
Accessible surface: 606.756	Positive charged surface: 293.263	Negative charged surface: 302.984	Volume: 318.875
Hydrophobic surface: 527.236	Hydrophilic surface: 79.52

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.