MMsINC Database Search


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MMsINC code: MMs01816279

Type: Neutral
Formula: C₁₆H₁₄N₂O₄

SMILES:

OC(=O)c1cc(NC(=O)C(=O)NCc2ccccc2)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.5624 kcal/mol

Physical Properties
Molecular Weight: 298.298 g/mol	logS: -3.49684	SlogP: 1.9061	Reactive groups: 0

Topological Properties
Globularity: 0.0417727	Sterimol/B1: 3.32605	Sterimol/B2: 3.78141	Sterimol/B3: 4.09711
Sterimol/B4: 5.77141	Sterimol/L: 16.4211

Surface and Volume Properties
Accessible surface: 546.689	Positive charged surface: 308.875	Negative charged surface: 237.814	Volume: 274.75
Hydrophobic surface: 351.273	Hydrophilic surface: 195.416

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	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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Ions/Tautomers related molecules

MMs01816280
IBS-ZINC02255610