MMsINC Database Search


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MMsINC code: MMs01579054

Type: Neutral
Formula: C₂₁H₁₅F₂NO₄

SMILES:

Fc1ccc(cc1)COC(=O)c1nc(ccc1)C(OCc1ccc(F)cc1)=O

InChI:

InChI=1/C21H15F2NO4/c22-16-8-4-14(5-9-16)12-27-20(25)18-2-1-3-19(24-18)21(26)28-13-15-6-10-17(23)11-7-15/h1-11H,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.9344 kcal/mol

Physical Properties
Molecular Weight: 383.35 g/mol	logS: -5.3218	SlogP: 4.6066	Reactive groups: 0

Topological Properties
Globularity: 0.121134	Sterimol/B1: 3.61851	Sterimol/B2: 3.62106	Sterimol/B3: 5.7245
Sterimol/B4: 5.72624	Sterimol/L: 14.5213

Surface and Volume Properties
Accessible surface: 664.803	Positive charged surface: 336.868	Negative charged surface: 327.935	Volume: 336.75
Hydrophobic surface: 551.464	Hydrophilic surface: 113.339

Pharmacophoric Properties
Hydrogen bond donors: 0	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.