MMsINC Database Search


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MMsINC code: MMs01416007

Type: Neutral
Formula: C₁₉H₁₉FN₂O₆

SMILES:

Fc1ccc(NC(=O)CNC(=O)COC(=O)c2ccc(OC)cc2OC)cc1

InChI:

InChI=1/C19H19FN2O6/c1-26-14-7-8-15(16(9-14)27-2)19(25)28-11-18(24)21-10-17(23)22-13-5-3-12(20)4-6-13/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.775 kcal/mol

Physical Properties
Molecular Weight: 390.367 g/mol	logS: -4.33135	SlogP: 1.7546	Reactive groups: 0

Topological Properties
Globularity: 0.0075302	Sterimol/B1: 1.969	Sterimol/B2: 2.60024	Sterimol/B3: 2.87616
Sterimol/B4: 8.55353	Sterimol/L: 22.5173

Surface and Volume Properties
Accessible surface: 683.611	Positive charged surface: 462.714	Negative charged surface: 220.898	Volume: 345.25
Hydrophobic surface: 535.326	Hydrophilic surface: 148.285

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.