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MMsINC code: MMs02858022

Type: Neutral
Formula: C₁₈H₁₄FN₃O₃

SMILES:

Fc1ccc(N2NC(=C)\C(=C/Nc3ccccc3C(O)=O)\C2=O)cc1

InChI:

InChI=1/C18H14FN3O3/c1-11-15(10-20-16-5-3-2-4-14(16)18(24)25)17(23)22(21-11)13-8-6-12(19)7-9-13/h2-10,20-21H,1H2,(H,24,25)/b15-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.979 kcal/mol

Physical Properties
Molecular Weight: 339.326 g/mol	logS: -4.02623	SlogP: 2.8848	Reactive groups: 1

Topological Properties
Globularity: 0.00089291	Sterimol/B1: 2.097	Sterimol/B2: 2.27979	Sterimol/B3: 2.3787
Sterimol/B4: 9.5265	Sterimol/L: 16.9699

Surface and Volume Properties
Accessible surface: 559.216	Positive charged surface: 290.395	Negative charged surface: 268.822	Volume: 301.125
Hydrophobic surface: 400.349	Hydrophilic surface: 158.867

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02858023
PUBCHEM-ZINC02027863