MMsINC Database Search


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MMsINC code: MMs00844997

Type: Ionized
Formula: C₁₆H₁₃N₂O₄-

SMILES:

O=C(Nc1ccccc1C(=O)[O-])c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C16H14N2O4/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16(21)22/h2-9H,1H3,(H,17,19)(H,18,20)(H,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.6742 kcal/mol

Physical Properties
Molecular Weight: 297.29 g/mol	logS: -3.79417	SlogP: 1.2608	Reactive groups: 0

Topological Properties
Globularity: 0.00881418	Sterimol/B1: 2.34679	Sterimol/B2: 2.57492	Sterimol/B3: 4.6627
Sterimol/B4: 4.88828	Sterimol/L: 17.6421

Surface and Volume Properties
Accessible surface: 529.579	Positive charged surface: 271.197	Negative charged surface: 258.382	Volume: 272.375
Hydrophobic surface: 368.505	Hydrophilic surface: 161.074

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:

MMs00844996
CHEMDIV-ZINC00237445