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MMsINC code: MMs00733721

Type: Neutral
Formula: C₁₇H₁₆N₂O₄

SMILES:

OC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)CC)cc1

InChI:

InChI=1/C17H16N2O4/c1-2-15(20)19-14-6-4-3-5-13(14)16(21)18-12-9-7-11(8-10-12)17(22)23/h3-10H,2H2,1H3,(H,18,21)(H,19,20)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.6115 kcal/mol

Physical Properties
Molecular Weight: 312.325 g/mol	logS: -3.73549	SlogP: 2.9856	Reactive groups: 0

Topological Properties
Globularity: 0.0173943	Sterimol/B1: 2.54023	Sterimol/B2: 2.5698	Sterimol/B3: 3.14303
Sterimol/B4: 9.40679	Sterimol/L: 16.5367

Surface and Volume Properties
Accessible surface: 560.703	Positive charged surface: 333.366	Negative charged surface: 227.337	Volume: 290.75
Hydrophobic surface: 382.413	Hydrophilic surface: 178.29

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

MMs00733722
CHEMBRIDGE-ZINC02880774