MMsINC Database Search


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MMsINC code: MMs00134933

Type: Neutral
Formula: C₁₆H₁₄N₂O₄

SMILES:

O(C)c1cc2c(NC(=O)N(C2=O)c2ccccc2)cc1OC

InChI:

InChI=1/C16H14N2O4/c1-21-13-8-11-12(9-14(13)22-2)17-16(20)18(15(11)19)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.0092 kcal/mol

Physical Properties
Molecular Weight: 298.298 g/mol	logS: -3.75653	SlogP: 2.8961	Reactive groups: 0

Topological Properties
Globularity: 0.0557251	Sterimol/B1: 2.17525	Sterimol/B2: 3.6214	Sterimol/B3: 3.62423
Sterimol/B4: 7.70716	Sterimol/L: 15.8965

Surface and Volume Properties
Accessible surface: 521.109	Positive charged surface: 353.357	Negative charged surface: 167.752	Volume: 272.125
Hydrophobic surface: 412.144	Hydrophilic surface: 108.965

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.