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MMsINC code: MMs01927658

Type: Neutral
Formula: C₁₉H₁₄FN₃O₅

SMILES:

Fc1ccc(cc1)CN1C(=O)\C(=C\Nc2cc(ccc2)C(O)=O)\C(=O)NC1=O

InChI:

InChI=1/C19H14FN3O5/c20-13-6-4-11(5-7-13)10-23-17(25)15(16(24)22-19(23)28)9-21-14-3-1-2-12(8-14)18(26)27/h1-9,21H,10H2,(H,26,27)(H,22,24,28)/b15-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.4207 kcal/mol

Physical Properties
Molecular Weight: 383.335 g/mol	logS: -4.32704	SlogP: 2.3647	Reactive groups: 0

Topological Properties
Globularity: 0.0458938	Sterimol/B1: 2.75635	Sterimol/B2: 3.22821	Sterimol/B3: 4.61448
Sterimol/B4: 7.04446	Sterimol/L: 18.6315

Surface and Volume Properties
Accessible surface: 597.542	Positive charged surface: 307.645	Negative charged surface: 289.897	Volume: 324.125
Hydrophobic surface: 361.516	Hydrophilic surface: 236.026

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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

MMs01927659
IBS-ZINC05177958