MMsINC Database Search


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MMsINC code: MMs01470158

Type: Neutral
Formula: C₁₇H₁₄N₂O₅

SMILES:

O(C(=O)c1ccc(cc1)C(=O)c1ccccc1)CC(=O)NC(=O)N

InChI:

InChI=1/C17H14N2O5/c18-17(23)19-14(20)10-24-16(22)13-8-6-12(7-9-13)15(21)11-4-2-1-3-5-11/h1-9H,10H2,(H3,18,19,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.054 kcal/mol

Physical Properties
Molecular Weight: 326.308 g/mol	logS: -4.34651	SlogP: 1.2693	Reactive groups: 0

Topological Properties
Globularity: 0.0123324	Sterimol/B1: 2.46033	Sterimol/B2: 2.78654	Sterimol/B3: 2.85614
Sterimol/B4: 7.80112	Sterimol/L: 18.6769

Surface and Volume Properties
Accessible surface: 571.46	Positive charged surface: 324.114	Negative charged surface: 247.346	Volume: 289.625
Hydrophobic surface: 331.027	Hydrophilic surface: 240.433

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.