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MMsINC code: MMs00495412

Type: Neutral
Formula: C₁₈H₁₅FN₂O₄

SMILES:

Fc1ccc(N2C(=O)C(NCc3ccc(cc3)C(O)=O)CC2=O)cc1

InChI:

InChI=1/C18H15FN2O4/c19-13-5-7-14(8-6-13)21-16(22)9-15(17(21)23)20-10-11-1-3-12(4-2-11)18(24)25/h1-8,15,20H,9-10H2,(H,24,25)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.9366 kcal/mol

Physical Properties
Molecular Weight: 342.326 g/mol	logS: -3.69827	SlogP: 2.212	Reactive groups: 0

Topological Properties
Globularity: 0.060992	Sterimol/B1: 2.64477	Sterimol/B2: 3.39874	Sterimol/B3: 4.55985
Sterimol/B4: 5.98513	Sterimol/L: 18.1913

Surface and Volume Properties
Accessible surface: 576.447	Positive charged surface: 308.281	Negative charged surface: 268.165	Volume: 305.25
Hydrophobic surface: 398.005	Hydrophilic surface: 178.442

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00495413
CHEMBLOCK-ZINC00086239