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MMsINC code: MMs02323803

Type: Neutral
Formula: C₁₉H₁₈N₂O₆

SMILES:

O(Cc1ccccc1)C(=O)CNC(=O)c1ccccc1C(=O)NCC(O)=O

InChI:

InChI=1/C19H18N2O6/c22-16(23)10-20-18(25)14-8-4-5-9-15(14)19(26)21-11-17(24)27-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,25)(H,21,26)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.2894 kcal/mol

Physical Properties
Molecular Weight: 370.361 g/mol	logS: -3.84905	SlogP: 1.2406	Reactive groups: 1

Topological Properties
Globularity: 0.0246148	Sterimol/B1: 3.22707	Sterimol/B2: 3.69408	Sterimol/B3: 4.80535
Sterimol/B4: 7.69094	Sterimol/L: 19.452

Surface and Volume Properties
Accessible surface: 661.304	Positive charged surface: 386.263	Negative charged surface: 275.041	Volume: 337.625
Hydrophobic surface: 438.408	Hydrophilic surface: 222.896

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

MMs02323804
NCID-ZINC01691967