MMsINC Database Search


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MMsINC code: MMs00089962

Type: Neutral
Formula: C₁₉H₁₅FN₂O₃

SMILES:

Fc1ccc(NC(=O)C=2C(=O)N(c3c(cccc3)C=2O)CC=C)cc1

InChI:

InChI=1/C19H15FN2O3/c1-2-11-22-15-6-4-3-5-14(15)17(23)16(19(22)25)18(24)21-13-9-7-12(20)8-10-13/h2-10,23H,1,11H2,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.7563 kcal/mol

Physical Properties
Molecular Weight: 338.338 g/mol	logS: -4.58051	SlogP: 3.2661	Reactive groups: 0

Topological Properties
Globularity: 0.023204	Sterimol/B1: 2.097	Sterimol/B2: 2.3908	Sterimol/B3: 3.52487
Sterimol/B4: 9.36455	Sterimol/L: 16.2621

Surface and Volume Properties
Accessible surface: 558.406	Positive charged surface: 299.209	Negative charged surface: 259.197	Volume: 307
Hydrophobic surface: 417.859	Hydrophilic surface: 140.547

Pharmacophoric Properties
Hydrogen bond donors: 2	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.