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MMsINC code: MMs00905353

Type: Ionized
Formula: C₁₈H₁₅N₂O₅-

SMILES:

O=C(C(=O)Nc1ccc(cc1)CC(=O)[O-])c1ccccc1NC(=O)C

InChI:

InChI=1/C18H16N2O5/c1-11(21)19-15-5-3-2-4-14(15)17(24)18(25)20-13-8-6-12(7-9-13)10-16(22)23/h2-9H,10H2,1H3,(H,19,21)(H,20,25)(H,22,23)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.2406 kcal/mol

Physical Properties
Molecular Weight: 339.327 g/mol	logS: -4.18699	SlogP: 0.75877	Reactive groups: 0

Topological Properties
Globularity: 0.0294467	Sterimol/B1: 1.969	Sterimol/B2: 3.26479	Sterimol/B3: 4.04448
Sterimol/B4: 8.58429	Sterimol/L: 17.2402

Surface and Volume Properties
Accessible surface: 596.406	Positive charged surface: 304.454	Negative charged surface: 291.951	Volume: 307.875
Hydrophobic surface: 403.349	Hydrophilic surface: 193.057

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

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Parent related molecule:

MMs00905352
CHEMDIV-ZINC03030967