MMsINC Database Search


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MMsINC code: MMs00105309

Type: Neutral
Formula: C₁₉H₁₆FNO₄

SMILES:

Fc1ccc(N2C(C(C(=O)C)C(=O)C2=O)c2ccccc2OC)cc1

InChI:

InChI=1/C19H16FNO4/c1-11(22)16-17(14-5-3-4-6-15(14)25-2)21(19(24)18(16)23)13-9-7-12(20)8-10-13/h3-10,16-17H,1-2H3/t16-,17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.1455 kcal/mol

Physical Properties
Molecular Weight: 341.338 g/mol	logS: -4.16962	SlogP: 2.792	Reactive groups: 0

Topological Properties
Globularity: 0.219403	Sterimol/B1: 2.87198	Sterimol/B2: 3.38249	Sterimol/B3: 4.82635
Sterimol/B4: 8.20589	Sterimol/L: 13.0732

Surface and Volume Properties
Accessible surface: 548.177	Positive charged surface: 299.834	Negative charged surface: 248.343	Volume: 307.75
Hydrophobic surface: 447.566	Hydrophilic surface: 100.611

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00105312
ASINEX-ZINC00273556