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MMsINC code: MMs02715654

Type: Neutral
Formula: C₂₂H₁₈N₂O₅

SMILES:

O(C)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C(O)=O)cc1

InChI:

InChI=1/C22H18N2O5/c1-29-15-12-10-14(11-13-15)23-21(26)18-8-4-5-9-19(18)24-20(25)16-6-2-3-7-17(16)22(27)28/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.779 kcal/mol

Physical Properties
Molecular Weight: 390.395 g/mol	logS: -5.34464	SlogP: 3.898	Reactive groups: 0

Topological Properties
Globularity: 0.121787	Sterimol/B1: 3.61801	Sterimol/B2: 3.72106	Sterimol/B3: 5.7168
Sterimol/B4: 10.1279	Sterimol/L: 14.5125

Surface and Volume Properties
Accessible surface: 658.802	Positive charged surface: 399.014	Negative charged surface: 259.789	Volume: 358.875
Hydrophobic surface: 517.694	Hydrophilic surface: 141.108

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

MMs02715655
PUBCHEM-ZINC00627683