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MMsINC code: MMs01750776

Type: Ionized
Formula: C₁₇H₁₇N₂O₄-

SMILES:

O(C)c1ccc(NC(=O)NC(Cc2ccccc2)C(=O)[O-])cc1

InChI:

InChI=1/C17H18N2O4/c1-23-14-9-7-13(8-10-14)18-17(22)19-15(16(20)21)11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H,20,21)(H2,18,19,22)/p-1/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.0989 kcal/mol

Physical Properties
Molecular Weight: 313.333 g/mol	logS: -3.56423	SlogP: 1.17787	Reactive groups: 0

Topological Properties
Globularity: 0.0651795	Sterimol/B1: 3.17852	Sterimol/B2: 3.64106	Sterimol/B3: 5.42006
Sterimol/B4: 6.27171	Sterimol/L: 15.7411

Surface and Volume Properties
Accessible surface: 564.814	Positive charged surface: 340.221	Negative charged surface: 224.593	Volume: 298.75
Hydrophobic surface: 432.733	Hydrophilic surface: 132.081

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	Basic groups: 0
Chiral centers: 1

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:

MMs01750775
IBS-ZINC00540631