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MMsINC code: MMs00905352

Type: Neutral
Formula: C₁₈H₁₆N₂O₅

SMILES:

OC(=O)Cc1ccc(NC(=O)C(=O)c2ccccc2NC(=O)C)cc1

InChI:

InChI=1/C18H16N2O5/c1-11(21)19-15-5-3-2-4-14(15)17(24)18(25)20-13-8-6-12(7-9-13)10-16(22)23/h2-9H,10H2,1H3,(H,19,21)(H,20,25)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.504 kcal/mol

Physical Properties
Molecular Weight: 340.335 g/mol	logS: -3.92654	SlogP: 2.09347	Reactive groups: 0

Topological Properties
Globularity: 0.0231032	Sterimol/B1: 2.11805	Sterimol/B2: 3.12411	Sterimol/B3: 3.27152
Sterimol/B4: 8.30794	Sterimol/L: 18.5155

Surface and Volume Properties
Accessible surface: 589.046	Positive charged surface: 348.425	Negative charged surface: 240.621	Volume: 305.625
Hydrophobic surface: 390.445	Hydrophilic surface: 198.601

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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

MMs00905353
CHEMDIV-ZINC03030967