MMsINC Database Search


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MMsINC code: MMs00707576

Type: Neutral
Formula: C₁₇H₁₈N₂O₄

SMILES:

O(C)c1ccccc1CNC(=O)C(=O)Nc1ccc(OC)cc1

InChI:

InChI=1/C17H18N2O4/c1-22-14-9-7-13(8-10-14)19-17(21)16(20)18-11-12-5-3-4-6-15(12)23-2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.5269 kcal/mol

Physical Properties
Molecular Weight: 314.341 g/mol	logS: -3.6282	SlogP: 2.2251	Reactive groups: 0

Topological Properties
Globularity: 0.0647671	Sterimol/B1: 2.91061	Sterimol/B2: 4.73306	Sterimol/B3: 4.79847
Sterimol/B4: 5.17842	Sterimol/L: 18.6716

Surface and Volume Properties
Accessible surface: 590.24	Positive charged surface: 403.751	Negative charged surface: 186.489	Volume: 300
Hydrophobic surface: 477.764	Hydrophilic surface: 112.476

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.