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MMsINC code: MMs00665200

Type: Ionized
Formula: C₂₁H₁₅N₂O₄-

SMILES:

O=C(Nc1cc(ccc1NC(=O)c1ccccc1)C(=O)[O-])c1ccccc1

InChI:

InChI=1/C21H16N2O4/c24-19(14-7-3-1-4-8-14)22-17-12-11-16(21(26)27)13-18(17)23-20(25)15-9-5-2-6-10-15/h1-13H,(H,22,24)(H,23,25)(H,26,27)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.6884 kcal/mol

Physical Properties
Molecular Weight: 359.361 g/mol	logS: -5.55471	SlogP: 2.5547	Reactive groups: 0

Topological Properties
Globularity: 0.0919396	Sterimol/B1: 3.24121	Sterimol/B2: 4.43244	Sterimol/B3: 5.07696
Sterimol/B4: 10.0127	Sterimol/L: 13.7127

Surface and Volume Properties
Accessible surface: 624.498	Positive charged surface: 299.193	Negative charged surface: 325.305	Volume: 334.125
Hydrophobic surface: 469.877	Hydrophilic surface: 154.621

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:

MMs00665199
CHEMBRIDGE-ZINC01123476