MMsINC Database Search


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MMsINC code: MMs01148572

Type: Neutral
Formula: C₁₇H₁₇FN₂O₄

SMILES:

Fc1ccc(NC(=O)CNC(=O)c2cc(OC)cc(OC)c2)cc1

InChI:

InChI=1/C17H17FN2O4/c1-23-14-7-11(8-15(9-14)24-2)17(22)19-10-16(21)20-13-5-3-12(18)4-6-13/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.2833 kcal/mol

Physical Properties
Molecular Weight: 332.331 g/mol	logS: -3.92318	SlogP: 2.2114	Reactive groups: 0

Topological Properties
Globularity: 0.011744	Sterimol/B1: 2.718	Sterimol/B2: 2.78026	Sterimol/B3: 3.77413
Sterimol/B4: 6.55487	Sterimol/L: 18.9416

Surface and Volume Properties
Accessible surface: 596.445	Positive charged surface: 390.273	Negative charged surface: 206.171	Volume: 302.5
Hydrophobic surface: 482.597	Hydrophilic surface: 113.848

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.