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MMsINC code: MMs00692184

Type: Ionized
Formula: C₂₂H₁₆NO₄-

SMILES:

O=C(C)c1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])cc1

InChI:

InChI=1/C22H17NO4/c1-14(24)15-10-12-16(13-11-15)23-21(25)19-8-4-2-6-17(19)18-7-3-5-9-20(18)22(26)27/h2-13H,1H3,(H,23,25)(H,26,27)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.8354 kcal/mol

Physical Properties
Molecular Weight: 358.373 g/mol	logS: -6.32337	SlogP: 3.172	Reactive groups: 0

Topological Properties
Globularity: 0.135037	Sterimol/B1: 4.25139	Sterimol/B2: 4.85832	Sterimol/B3: 5.69216
Sterimol/B4: 5.91108	Sterimol/L: 16.304

Surface and Volume Properties
Accessible surface: 595.114	Positive charged surface: 295.939	Negative charged surface: 299.176	Volume: 340.25
Hydrophobic surface: 473.311	Hydrophilic surface: 121.803

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

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Parent related molecule:

MMs00692183
CHEMBRIDGE-ZINC01230335