MMsINC Database Search


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MMsINC code: MMs01463908

Type: Neutral
Formula: C₁₇H₁₅F₂NO₄

SMILES:

Fc1cc(NC(=O)COC(=O)COc2cc(ccc2)C)ccc1F

InChI:

InChI=1/C17H15F2NO4/c1-11-3-2-4-13(7-11)23-10-17(22)24-9-16(21)20-12-5-6-14(18)15(19)8-12/h2-8H,9-10H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.2562 kcal/mol

Physical Properties
Molecular Weight: 335.306 g/mol	logS: -4.90374	SlogP: 2.83392	Reactive groups: 1

Topological Properties
Globularity: 0.00938026	Sterimol/B1: 2.67965	Sterimol/B2: 2.75481	Sterimol/B3: 2.8728
Sterimol/B4: 5.40612	Sterimol/L: 20.5861

Surface and Volume Properties
Accessible surface: 598.916	Positive charged surface: 330.471	Negative charged surface: 268.445	Volume: 294.625
Hydrophobic surface: 499.93	Hydrophilic surface: 98.986

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.