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MMsINC code: MMs00511199

Type: Ionized
Formula: C₁₆H₁₃N₂O₄-

SMILES:

O=C(NCC(=O)Nc1ccccc1)c1ccccc1C(=O)[O-]

InChI:

InChI=1/C16H14N2O4/c19-14(18-11-6-2-1-3-7-11)10-17-15(20)12-8-4-5-9-13(12)16(21)22/h1-9H,10H2,(H,17,20)(H,18,19)(H,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.6557 kcal/mol

Physical Properties
Molecular Weight: 297.29 g/mol	logS: -3.75729	SlogP: 0.4186	Reactive groups: 0

Topological Properties
Globularity: 0.0553309	Sterimol/B1: 2.47004	Sterimol/B2: 3.59916	Sterimol/B3: 4.02168
Sterimol/B4: 6.53589	Sterimol/L: 14.4706

Surface and Volume Properties
Accessible surface: 520.108	Positive charged surface: 263.014	Negative charged surface: 257.094	Volume: 272
Hydrophobic surface: 372.956	Hydrophilic surface: 147.152

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

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Parent related molecule:

MMs00511198
CHEMBLOCK-ZINC01055316