MMsINC Database Search


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MMsINC code: MMs01313399

Type: Neutral
Formula: C₁₇H₁₈N₂O₆

SMILES:

o1cccc1CNC(=O)COC(=O)CNC(=O)c1ccc(OC)cc1

InChI:

InChI=1/C17H18N2O6/c1-23-13-6-4-12(5-7-13)17(22)19-10-16(21)25-11-15(20)18-9-14-3-2-8-24-14/h2-8H,9-11H2,1H3,(H,18,20)(H,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.462 kcal/mol

Physical Properties
Molecular Weight: 346.339 g/mol	logS: -3.6816	SlogP: 1.144	Reactive groups: 1

Topological Properties
Globularity: 0.0113096	Sterimol/B1: 1.969	Sterimol/B2: 3.02879	Sterimol/B3: 3.46804
Sterimol/B4: 7.19247	Sterimol/L: 21.7217

Surface and Volume Properties
Accessible surface: 643.655	Positive charged surface: 395.657	Negative charged surface: 247.997	Volume: 316.25
Hydrophobic surface: 470.453	Hydrophilic surface: 173.202

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.