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MMsINC code: MMs02715655

Type: Ionized
Formula: C₂₂H₁₇N₂O₅-

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)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.8889 kcal/mol

Physical Properties
Molecular Weight: 389.387 g/mol	logS: -5.60509	SlogP: 2.5633	Reactive groups: 0

Topological Properties
Globularity: 0.0930881	Sterimol/B1: 3.36936	Sterimol/B2: 4.31659	Sterimol/B3: 5.64363
Sterimol/B4: 9.4713	Sterimol/L: 15.8019

Surface and Volume Properties
Accessible surface: 663.067	Positive charged surface: 358.592	Negative charged surface: 304.475	Volume: 357.875
Hydrophobic surface: 525.438	Hydrophilic surface: 137.629

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:

MMs02715654
PUBCHEM-ZINC00627683