MMsINC Database Search


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MMsINC code: MMs01338266

Type: Neutral
Formula: C₂₁H₁₅F₂NO₃

SMILES:

Fc1cc(NC(=O)COC(=O)c2ccc(cc2)-c2ccccc2)ccc1F

InChI:

InChI=1/C21H15F2NO3/c22-18-11-10-17(12-19(18)23)24-20(25)13-27-21(26)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,13H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.329 kcal/mol

Physical Properties
Molecular Weight: 367.351 g/mol	logS: -6.77938	SlogP: 4.4273	Reactive groups: 0

Topological Properties
Globularity: 0.00702515	Sterimol/B1: 2.67166	Sterimol/B2: 2.88839	Sterimol/B3: 3.38523
Sterimol/B4: 6.30623	Sterimol/L: 20.8637

Surface and Volume Properties
Accessible surface: 632.178	Positive charged surface: 301	Negative charged surface: 320.107	Volume: 329.125
Hydrophobic surface: 549.31	Hydrophilic surface: 82.868

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.