MMsINC Database Search


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MMsINC code: MMs01433817

Type: Neutral
Formula: C₁₇H₁₄F₃NO₃

SMILES:

Fc1c(F)c(F)ccc1NC(=O)COC(=O)c1ccc(cc1C)C

InChI:

InChI=1/C17H14F3NO3/c1-9-3-4-11(10(2)7-9)17(23)24-8-14(22)21-13-6-5-12(18)15(19)16(13)20/h3-7H,8H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.0724 kcal/mol

Physical Properties
Molecular Weight: 337.297 g/mol	logS: -5.59582	SlogP: 3.51624	Reactive groups: 0

Topological Properties
Globularity: 0.00877857	Sterimol/B1: 2.4494	Sterimol/B2: 2.5325	Sterimol/B3: 2.79689
Sterimol/B4: 6.40784	Sterimol/L: 18.1698

Surface and Volume Properties
Accessible surface: 568.426	Positive charged surface: 305.436	Negative charged surface: 262.99	Volume: 289.5
Hydrophobic surface: 497.256	Hydrophilic surface: 71.17

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.