MMsINC Database Search


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MMsINC code: MMs01355163

Type: Neutral
Formula: C₁₇H₁₄N₂O₅

SMILES:

Oc1ccccc1C(OCC(=O)N1CC(=O)Nc2c1cccc2)=O

InChI:

InChI=1/C17H14N2O5/c20-14-8-4-1-5-11(14)17(23)24-10-16(22)19-9-15(21)18-12-6-2-3-7-13(12)19/h1-8,20H,9-10H2,(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.011 kcal/mol

Physical Properties
Molecular Weight: 326.308 g/mol	logS: -3.64603	SlogP: 1.5343	Reactive groups: 0

Topological Properties
Globularity: 0.0179234	Sterimol/B1: 2.25795	Sterimol/B2: 3.00345	Sterimol/B3: 3.39987
Sterimol/B4: 7.24685	Sterimol/L: 16.7961

Surface and Volume Properties
Accessible surface: 551.754	Positive charged surface: 316.853	Negative charged surface: 234.901	Volume: 289.125
Hydrophobic surface: 372.88	Hydrophilic surface: 178.874

Pharmacophoric Properties
Hydrogen bond donors: 2	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.