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MMsINC code: MMs02323804

Type: Ionized
Formula: C₁₉H₁₇N₂O₆-

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)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.1629 kcal/mol

Physical Properties
Molecular Weight: 369.353 g/mol	logS: -4.1095	SlogP: -0.0941	Reactive groups: 1

Topological Properties
Globularity: 0.0652123	Sterimol/B1: 2.59003	Sterimol/B2: 5.71359	Sterimol/B3: 6.16335
Sterimol/B4: 6.18121	Sterimol/L: 17.2756

Surface and Volume Properties
Accessible surface: 644.602	Positive charged surface: 351.772	Negative charged surface: 292.83	Volume: 334.25
Hydrophobic surface: 439.022	Hydrophilic surface: 205.58

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs02323803
NCID-ZINC01691967