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MMsINC code: MMs00267168

Type: Ionized
Formula: C₁₈H₁₄FN₂O₄-

SMILES:

Fc1ccc(cc1)\C=C(/NC(=O)c1ccccc1)\C(=O)NCC(=O)[O-]

InChI:

InChI=1/C18H15FN2O4/c19-14-8-6-12(7-9-14)10-15(18(25)20-11-16(22)23)21-17(24)13-4-2-1-3-5-13/h1-10H,11H2,(H,20,25)(H,21,24)(H,22,23)/p-1/b15-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.4257 kcal/mol

Physical Properties
Molecular Weight: 341.318 g/mol	logS: -4.59412	SlogP: 0.4627	Reactive groups: 0

Topological Properties
Globularity: 0.103288	Sterimol/B1: 3.41906	Sterimol/B2: 3.50831	Sterimol/B3: 4.18857
Sterimol/B4: 7.02255	Sterimol/L: 16.7805

Surface and Volume Properties
Accessible surface: 577.228	Positive charged surface: 293.604	Negative charged surface: 283.624	Volume: 306.875
Hydrophobic surface: 426.381	Hydrophilic surface: 150.847

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:

MMs00267165
ASINEX-ZINC02273741