MMsINC Database Search


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MMsINC code: MMs01738649

Type: Neutral
Formula: C₁₃H₁₂N₂O₄

SMILES:

O(C)C=1N(CC(=O)c2ccccc2)C(=O)NC(=O)C=1

InChI:

InChI=1/C13H12N2O4/c1-19-12-7-11(17)14-13(18)15(12)8-10(16)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,14,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.2301 kcal/mol

Physical Properties
Molecular Weight: 260.249 g/mol	logS: -2.78193	SlogP: 0.9089	Reactive groups: 0

Topological Properties
Globularity: 0.102898	Sterimol/B1: 2.44963	Sterimol/B2: 3.70144	Sterimol/B3: 3.70247
Sterimol/B4: 7.27836	Sterimol/L: 14.4502

Surface and Volume Properties
Accessible surface: 467.169	Positive charged surface: 280.262	Negative charged surface: 186.908	Volume: 233.125
Hydrophobic surface: 316.853	Hydrophilic surface: 150.316

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.