MMsINC Database Search


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MMsINC code: MMs01375776

Type: Neutral
Formula: C₂₂H₁₇F₂NO₄

SMILES:

Fc1cc(NC(=O)COC(=O)c2ccccc2OCc2ccccc2)ccc1F

InChI:

InChI=1/C22H17F2NO4/c23-18-11-10-16(12-19(18)24)25-21(26)14-29-22(27)17-8-4-5-9-20(17)28-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.704 kcal/mol

Physical Properties
Molecular Weight: 397.377 g/mol	logS: -6.17128	SlogP: 4.6057	Reactive groups: 0

Topological Properties
Globularity: 0.0300349	Sterimol/B1: 2.50324	Sterimol/B2: 3.60622	Sterimol/B3: 3.73996
Sterimol/B4: 10.1594	Sterimol/L: 19.1239

Surface and Volume Properties
Accessible surface: 680.85	Positive charged surface: 367.946	Negative charged surface: 312.904	Volume: 355.5
Hydrophobic surface: 598.284	Hydrophilic surface: 82.566

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.