MMsINC Database Search


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MMsINC code: MMs01113461

Type: Neutral
Formula: C₁₃H₁₄N₂O₄

SMILES:

O(CC)c1ccc(cc1)CN1C(=O)CC(=O)NC1=O

InChI:

InChI=1/C13H14N2O4/c1-2-19-10-5-3-9(4-6-10)8-15-12(17)7-11(16)14-13(15)18/h3-6H,2,7-8H2,1H3,(H,14,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-2.30109 kcal/mol

Physical Properties
Molecular Weight: 262.265 g/mol	logS: -2.44921	SlogP: 1.3202	Reactive groups: 0

Topological Properties
Globularity: 0.106661	Sterimol/B1: 2.9232	Sterimol/B2: 3.63196	Sterimol/B3: 4.51954
Sterimol/B4: 4.85143	Sterimol/L: 14.6319

Surface and Volume Properties
Accessible surface: 471.335	Positive charged surface: 294.171	Negative charged surface: 177.163	Volume: 237.75
Hydrophobic surface: 289.861	Hydrophilic surface: 181.474

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.