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MMsINC code: MMs01229481

Type: Ionized
Formula: C₁₇H₁₄FN₂O₄-

SMILES:

Fc1ccc(NC(=O)c2ccccc2NC(=O)CCC(=O)[O-])cc1

InChI:

InChI=1/C17H15FN2O4/c18-11-5-7-12(8-6-11)19-17(24)13-3-1-2-4-14(13)20-15(21)9-10-16(22)23/h1-8H,9-10H2,(H,19,24)(H,20,21)(H,22,23)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.7505 kcal/mol

Physical Properties
Molecular Weight: 329.307 g/mol	logS: -3.87207	SlogP: 1.5466	Reactive groups: 0

Topological Properties
Globularity: 0.0229373	Sterimol/B1: 2.3734	Sterimol/B2: 2.45289	Sterimol/B3: 3.00294
Sterimol/B4: 10.0306	Sterimol/L: 16.0963

Surface and Volume Properties
Accessible surface: 569.932	Positive charged surface: 293.147	Negative charged surface: 276.785	Volume: 293.625
Hydrophobic surface: 409.235	Hydrophilic surface: 160.697

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs01229480
ENAMINE-ZINC00386864